Compound - Results

Indometacin

Java required.


Information Structure
Name Indometacin
Synonyms
(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic Acid
1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure
1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic Acid
1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic Acid
1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido Acetico
1H-Indole-3-acetic Acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-
5-22-05-00239 (Beilstein Handbook Reference)
alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic Acid
Amuno
Artracin
Artrinovo
Artrivia
BRN 0497341
CCRIS 3502
Confortid
Dolovin
EINECS 200-186-5
HSDB 3101
Idomethine
Imbrilon
Inacid
Indacin
Indo-rectolmin
Indo-tablinen
Indocid
Indocin
Indole-3-acetic Acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-
Indomecol
Indomed
Indomee
Indometacin
Indometacina
Indometacine
Indometacinum
Indometacyna
Indomethacin
Indomethacine
Indomethacinum
Indomethazine
Indometicina
Indoptic
Indoptol
Inflazon
Infrocin
Inteban SP
Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy
Lausit
Metacen
Metartril
Methazine
Metindol
Mezolin
Mikametan
Mobilan
N-p-Chlorbenzoyl-5-methoxy-2-methylindole-3-acetic Acid
NCI-C56144
Reumacide
Sadoreum
Tannex
ATC C01EB03
M01AB01
M02AA23
S01BC01
CID 3715
CAS 000053861
Drugbank ID DB00328
TTD Drug ID DAP000617
SMILES COC1=CC2=C(C=C1)N(C(C)=C2CC(O)=O)C(=O)C3=CC=C(Cl)C=C3
Formula C19H16ClNO4
Molweight 357.788
Atoms 25
LogP 3.9273
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2C8Substrate Inhibitor umm
2C9Substrate Inhibitor umm
9492390
9492390
2C19Substrate Inhibitor medicine.iupui.edu/flockhart
umm
9492390
Phase2 interactions
NameReferences
GST 12142058,
9729437,
8573068,
1569917
NAT 7678288,
21554579
UGT 17245571,
3094339,
3778523
Transporter
AC-No.NameReferences
O15439Multidrug resistance-associated protein 419735648
P08183Multidrug resistance protein 119793025
P33527Multidrug resistance-associated protein 111288109
Q4U2R8hPAHT9950961
Q92887ATP-binding cassette sub-family C member 219541926
Extrarenal fraction 0.85
Elimination half-life 6.0h
Oxyphenbutazone

Java required.


Information Structure
Name Oxyphenbutazone
Synonyms
1-(p-Hydroxyphenyl)-2-phenyl-4-butyl-3,5-pyrazolidinedione
1-p-Hydroxyphenyl-2-phenyl-3,5-dioxo-4-N-butylpyrazolidine
1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-butylpyrazolidine
1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-n-butylpyrazolidine
3,5-Dioxo-1-phenyl-2-(p-hydroxyphenyl)-4-N-butylpyrazolidene
3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl
3,5-Pyrazolidinedione, 4-butyl-1-(p-hydroxyphenyl)-2-phenyl-
4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione
4-Butyl-1-(p-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione
4-Butyl-2-(4-hydroxyphenyl)-1-phenyl-3,5-dioxopyrazolidine
4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,5-pyrazolidinedione
5-24-05-00404 (Beilstein Handbook Reference)
AI3-26792
Aradinum
Artroflog
BM 1
BRN 0307474
Butaflogin
Butanora
Butanova
Butapirone
Butazonic
Butilene
Californit
CCRIS 6717
Cinophen-N
Crovaril
Deflogin
EINECS 204-936-2
Etrozolidina
Flamaril
Flanaril
Flegmostam
Flogal
Floghene
Flogistin
Flogitolo
Flogodin
Flogoril
Flogostop
Flopirina
Frabel
G 27202
Genal
HSDB 3144
Hydroxyphenylbutazon
Idrobutazina
Infamil
Infammil
Ipabutona
Iridil
Isobutazina
Isobutil
Metabolite I
Mysite
Neo-farmadol
Neofen
NSC 526053
Offitril
Optimal
Ossifenbutazone
Oxalid
Oxazolidin
Oxazolidin-geigy
Oxazolioin
Oxi-fenibutol
Oxibutol
Oxifenbutazona
Oxifenylbutazon
Oxiphenbutazone
Oxiphenbutazonum
Oxybuton
Oxyphenbutazone
Oxyphenbutazone Anhydrous
Oxyphenbutazonum
Oxyphenobutazone
Oxyphentamin
Oxyphenylbutazone
p-Hydroxyphenylbutazone
p-Oxyphenylbutazone
Pirabutina
Piraflogin
Poliflogil
Portoril
Rapostan
Remazin
Reumox
Reunabutal
Rumapax
Tandacote
Tandalgesic
Tandearil
Tanderil
Telidac
Telidal
Tendearil
USAF GE-14
Valioil
Visubutina
ATC M01AA03
M02AA04
S01BC02
CID 4641
CAS 000129204
SMILES CCCC[C@@H]1C(=O)N(N(C1=O)C2=CC=C(O)C=C2)C3=CC=CC=C3
Formula C19H20N2O3
Molweight 324.374
Atoms 24
LogP 3.6234
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
O15439Multidrug resistance-associated protein 419735648
P08183Multidrug resistance protein 119793025
P33527Multidrug resistance-associated protein 111288109
Q4U2R8hPAHT9950961
Q92887ATP-binding cassette sub-family C member 219541926
Diclofenac

Java required.


Information Structure
Name Diclofenac
Synonyms
2-((2,6-Dichlorophenyl)amino)benzeneacetic Acid
BRN 2146636
Dichlofenac
Diclofenac
Diclofenac Acid
Diclofenaco
Diclofenacum
Diclophenac
EINECS 239-348-5
Pennsaid
ProSorb-D
ATC M01AB05
M02AA15
S01BC03
D11AX18
CID 3033
CAS 015307865
Drugbank ID DB00586
TTD Drug ID DAP000620
SMILES OC(=O)CC1=CC=CC=C1NC2=C(Cl)C=CC=C2Cl
Formula C14H11Cl2NO2
Molweight 296.149
Atoms 19
LogP 4.4371
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
1A1Substrate 10572000
1A2Substrate Inhibitor umm
10572000
2B6Substrate umm
10449188
2C8Substrate Inhibitor umm
10572000
15581350
2C9Substrate Inhibitor 12065442
11353760
10497136
9335524
14570767
15802386
16308280
15135088
16740353
umm
2C18Substrate 10449188
10572000
2C19Substrate umm
10449188
10572000
2D6Substrate umm
2E1Inhibitor umm
15135088
9574817
3A4Substrate Inhibitor umm
10027801
10027798
10950847
10572000
46ASubstrate 14640697
Phase2 interactions
NameReferences
UGT 7981423,
9834275
Transporter
AC-No.NameReferences
O15439Multidrug resistance-associated protein 416454695
P08183MDR Transporter19793025
P78381Solute carrier family 35 member A2 11294973
Q92887Canalicular multispecific organic anion transporter 19585482
Q9NPD5OATP821389119
Q9UNQ0ATP-binding cassette sub-family G member 218845662
Extrarenal fraction 1.0
Elimination half-life 1.5h
Flurbiprofen

Java required.


Information Structure
Name Flurbiprofen
Synonyms
(+-)-2-(2-Fluoro-4-biphenylyl)propionic Acid
(+-)-2-Fluoro-alpha-methyl-4-biphenylacetic Acid
2-Fluoro-alpha-methyl-(1,1-biphenyl)-4-acetic Acid
3-Fluoro-4-phenylhydratropic Acid
Ansaid
BTS 18322
CCRIS 3708
EINECS 225-827-6
Flurbiprofen
Flurbiprofene
Flurbiprofeno
Flurbiprofenum
FP 70
Froben
U 27,182
ATC M01AE09
M02AA19
S01BC04
R02AX01
CID 3394
CAS 005104494
Drugbank ID DB00712
TTD Drug ID DAP000621
SMILES C[C@H](C(O)=O)C1=CC=C(C(F)=C1)C2=CC=CC=C2
Formula C15H13FO2
Molweight 244.261
Atoms 18
LogP 3.6808
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
2C8Substrate Inhibitor umm
2C9Substrate Inhibitor 15753745
15955872
8937439
12520632
11457649
7763308
11457649
umm
Phase2 interactions
NameReferences
UGT 17446261
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 17446261
Extrarenal fraction 0.85
Elimination half-life 4.0h
Ketorolac

Java required.


Information Structure
Name Ketorolac
Synonyms
(+-)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic Acid
(+-)-Ketorolac
Ketorolac
Ketorolaco
Ketorolacum
RS 37619
ATC M01AB15
S01BC05
CID 3826
CAS 074103063
Drugbank ID DB00465
TTD Drug ID DAP000618
SMILES OC(=O)[C@H]1CCN2C1=CC=C2C(=O)C3=CC=CC=C3
Formula C15H13NO3
Molweight 255.269
Atoms 19
LogP 2.291
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P78381UDP-galactose translocator 17446261
Extrarenal fraction 1.0
Elimination half-life 6.0h
Piroxicam

Java required.


Information Structure
Name Piroxicam
Synonyms
4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazin-3-caboxyamid-1,1-dioxid
4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide
4-Hydroxy-2-methyl-N-2-pyridyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
BAXO
BRN 0627692
CCRIS 3719
CHF 1251
CP 16171
EINECS 252-974-3
Feldene
Piroftal
Piroxicam
Piroxicamum
Pyroxycam
Roxicam
ATC M01AC01
M02AA07
S01BC06
CID 5280452
CAS 036322904
TTD Drug ID DAP000181
SMILES CN1C(C(=O)NC2=CC=CC=N2)=C(O)C3=C(C=CC=C3)S1(=O)=O
Formula C15H13N3O4S
Molweight 331.346
Atoms 23
LogP 2.8293
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 6
CYP interactions
NameRelationsReferences
2C8Substrate Inhibitor umm
2C9Substrate Inhibitor 11408370
16198655
9248768
11901091
9115051
umm
Transporter
AC-No.NameReferences
Q4U2R8Solute carrier family 22 member 611669456
Q86UG4OATP-I 9067546
Extrarenal fraction 0.9
Elimination half-life 40.0h
Bendazac

Java required.


Information Structure
Name Bendazac
Synonyms
((1-(Phenylmethyl)-1H-indazol-3-yl)oxy)acetic Acid
((1-Benzyl-1H-indazol-3-yl)oxy)acetic Acid
5-23-11-00246 (Beilstein Handbook Reference)
AF 983
Bendazac
Bendazaco
Bendazacum
Bendazolic Acid
Bindazac
BRN 0893958
EINECS 243-569-2
Versus
Zildasac
ATC M02AA11
S01BC07
CID 2313
CAS 020187557
SMILES OC(=O)COC1=NN(CC2=CC=CC=C2)C3=C1C=CC=C3
Formula C16H14N2O3
Molweight 282.294
Atoms 21
LogP 2.548
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
Q4U2R8Solute carrier family 22 member 611669456
Q86UG4OATP-I 9067546
Salicylic Acid

Java required.


Information Structure
Name Salicylic acid
Synonyms
2-Carboxyphenol
2-Hydroxybenzenecarboxylic Acid
2-Hydroxybenzoic Acid
4-10-00-00125 (Beilstein Handbook Reference)
Acido O-idrossibenzoico
Acido Salicilico
Acidum Salicylicum
AI3-02407
Benzoic Acid, 2-hydroxy-
BRN 0774890
Caswell No. 731
CCRIS 6714
Compound W
Duoplant
EINECS 200-712-3
EPA Pesticide Chemical Code 076602
Freezone
HSDB 672
Ionil
Ionil-Plus
Keralyt
Kyselina 2-hydroxybenzoova
Kyselina Salicylova
NSC 180
o-Carboxyphenol
o-Hydroxybenzoic Acid
Orthohydroxybenzoic Acid
Phenol-2-carboxylic Acid
Psoriacid-S-stift
Retarder W
Rutranex
Salicylic Acid
Salicylic Acid Collodion
Salicylic Acid Soap
Salicylic Acid, Tech.
Salicylsure
Saligel
Salonil
Stri-Dex
Verrugon
ATC D01AE12
D02AF01
D10AX11
D11AF01
S01BC08
CID 338
CAS 000069727
Drugbank ID DB00936
TTD Drug ID DAP000731
SMILES OC(=O)C1=C(O)C=CC=C1
Formula C7H6O3
Molweight 138.121
Atoms 10
LogP 1.0904
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
2E1Inducer 9207195
Phase2 interactions
NameReferences
SUL 16454694,
15487807,
15487807,
1676667,
11465392
Transporter
AC-No.NameReferences
A5D8U6ABCA1 protein 20137092
Q86UG4Solute carrier organic anion transporter family member 6A1 15821868
Extrarenal fraction 0.9
Elimination half-life 3h
Pranoprofen

Java required.


Information Structure
Name Pranoprofen
Synonyms
2-(5H-(1)Benzopyrano(2,3-b)pyridin-7-yl)propionic Acid
2-(5H-(1)Benzopyrano(2,3-b)pyridin-7yl)propionic Acid
alpha-Methyl-5H-(1)-benzopyrano(2,3-b)pyridine-7-acetic Acid
BRN 0889798
Niflan
Pranoprofen
Pranoprofene
Pranoprofeno
Pranoprofenum
Pyranoprofen
Y-8004
ATC S01BC09
CID 4888
CAS 052549174
SMILES C[C@H](C(O)=O)C1=CC2=C(OC3=C(C2)C=CC=N3)C=C1
Formula C15H13NO3
Molweight 255.269
Atoms 19
LogP 2.9662
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
A5D8U6ABCA1 protein 20137092
Q86UG4Solute carrier organic anion transporter family member 6A1 15821868
Nepafenac

Java required.


Information Structure
Name nepafenac
Synonyms
2-(2-amino-3-benzoylphenyl)acetamide
2-amino-3-benzoyl-benzeneacetamide
2-amino-3-benzoylbenzeneacetamide
2-[2-amino-3-(benzoyl)phenyl]acetamide
78281-72-8
ac-6949
ac1l45mc
ac1q4zkx
ahr 9434
ahr-9434
akos005146108
al 6515
al-6515
amfenac Amide
benzeneacetamide, 2-amino-3-benzoyl-
chebi:219162
chembl1021
cid151075
d05143
db06802
ft-0080494
i14-1056
ls-186492
ls-187354
nepafenac
nepafenac (jan/usan/inn)
nepafenac [usan]
nevanac
nevanac (tn)
nevanac, Nepafenac
s1255_selleck
sbb067082
tc-030710
tl8005351
unii-0j9l7j6v8c
zinc05162311
ATC S01BC10
CID 151075
CAS cid151075
Drugbank ID DB06802
Formula C15H13NO3
Molweight 255.269
Atoms 19
LogP 2.9662
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
A5D8U6ABCA1 protein 20137092
Q86UG4Solute carrier organic anion transporter family member 6A1 15821868
Bromfenac

Java required.


Information Structure
Name bromfenac
Synonyms
2-amino-3-(4-bromobenzoyl)benzeneacetic Acid
2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic Acid
91714-94-2
ac1l1tsw
ac1q5dq7
ahr-10282
ambap120638-55-3
benzeneacetic Acid, 2-amino-3-(4-bromobenzoyl)-
bromfenac
bromfenac (inn)
bromfenac Sodium
bromfenac [inn]
bromfenaco
bromfenaco [spanish]
bromfenacum
bromfenacum [latin]
c15h12brno3
chebi:240107
chembl1077
cid60726
d07541
db00963
duract
ls-178156
sodium 2-amino-3-(4-bromobenzoyl) Phenylacetate Sesquihydrate
unii-864p0921dw
xibrom
[2-amino-3-(4-bromo-benzoyl)-phenyl]-acetic Acid
[2-amino-3-(4-bromobenzoyl)phenyl]acetic Acid
{2-amino-3-[(4-bromophenyl)carbonyl]phenyl}acetic Acid
ATC S01BC11
CID 60726
CAS cid60726
Drugbank ID DB00963
TTD Drug ID DAP000732
Formula C15H13NO3
Molweight 255.269
Atoms 19
LogP 2.9662
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
A5D8U6ABCA1 protein 20137092
Q86UG4Solute carrier organic anion transporter family member 6A1 15821868