Compound - Results

Prothipendyl

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Information Structure
Name Prothipendyl
Synonyms
10-(3-Dimethylaminopropyl)-1-azaphenothiazin
10-(3-Dimethylaminopropyl)-10H-pyrido(3,2-b)(1,4)benzothiazin
10H-Pyrido(3,2-b)(1,4)benzothiazine-10-propanamine, N,N-dimethyl-
4-27-00-07169 (Beilstein Handbook Reference)
AY 56031
BRN 0259865
D 206
Dimethylamino-n-propyl-thiophenylpyridylamine
Dominal
Largophren
LG 206
MH 05101
Prothipendyl
Prothipendylum
Protipendilo
Timoval
Timovan
Tolnate
Tumovan
ATC N05AX07
CID 14670
CAS 000303695
SMILES CN(C)CCCN1C2=C(SC3=CC=CN=C13)C=CC=C2
Formula C16H19N3S
Molweight 285.407
Atoms 20
LogP 3.701
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 2
Risperidone

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Information Structure
Name Risperidone
Synonyms
3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)ethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
BRN 4891881
R 64766
Risperdal
Risperdal Consta
Risperidona
Risperidone
Risperidonum
Risperin
Rispolept
Rispolin
Sequinan
ATC N05AX08
CID 5073
CAS 106266062
Drugbank ID DB00734
TTD Drug ID DAP000003
SMILES CC1=C(CCN2CC[C@H](CC2)C3=NOC4=CC(F)=CC=C34)C(=O)N5CCCCC5=N1
Formula C23H27FN4O2
Molweight 410.484
Atoms 30
LogP 3.5283
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 6
CYP interactions
NameRelationsReferences
2D6Substrate Inhibitor 9231305
12616671
10048600
15767244
11560868
10688273
16321618
12670127
12518271
10460810
10771452
10048600
3A4Substrate Inhibitor 10048600
10771452
11996015
10048600
11560868
3A5Substrate 11560868
3A7Substrate medicine.iupui.edu/flockhart
Transporter
AC-No.NameReferences
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier)12366389
Q9P2U7Vesicular glutamate transporter 1 18155072
Clotiapine

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Information Structure
Name Clotiapine
Synonyms
2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)(1,4)thiazepine
2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)thiazepine
2058-52-8
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
ac1l27rx
akos005065858
biomol-nt_000008
bpbio1_001137
brd-k10990317-001-01-1
BRN 0568276
c18h18cln3s
chebi:203542
chembl304902
cid16351
Clothiapine
clothiapine (usan)
clothiapine [usan:ban]
Clotiapina
clotiapina [inn-spanish]
Clotiapine
clotiapine (jan/inn)
Clotiapinum
clotiapinum [inn-latin]
d01597
dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
Dibenzothiazepine
dibenzo[b,f][1,4]thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
EINECS 218-162-8
Entumin
entumin (tn)
entumine
Etumine
HF 2159
hms2089l15
ls-61278
lw 2159
ncgc00160387-01
ncgc00160387-02
pdsp1_000469
pdsp2_000467
S-805C
unii-z05hcy0x1t
w 130
ATC N05AX09
N05AH06
CID 16351
CAS 002058528
SMILES CN1CCN(CC1)C2=NC3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3
Formula C18H18ClN3S
Molweight 343.874
Atoms 23
LogP 3.4417
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
3A7Substrate 10843459
Transporter
AC-No.NameReferences
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier)12366389
Q9P2U7Vesicular glutamate transporter 1 18155072
Mosapramine

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Information Structure
Name Mosapramine
Synonyms
Mosapramine
ATC N05AX10
CID 4257
CAS 089419409
SMILES ClC1=CC2=C(CCC3=CC=CC=C3N2CCCN4CC[C@]5(CC4)N6CCCC[C@H]6NC5=O)C=C1
Formula C28H35ClN4O
Molweight 479.057
Atoms 34
LogP 5.0128
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier)12366389
Q9P2U7Vesicular glutamate transporter 1 18155072
Zotepine

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Information Structure
Name Zotepine
Synonyms
2-((8-Chlorodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethanamine
2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-thiepin
2-Chloro-11-(2-(dimethylamino)ethoxy)dibenzo(b,f)thiepin
2-Chloro-11-(2-dimethylaminoethoxy)-dibenzo(b,f)thiepine
5-17-04-00588 (Beilstein Handbook Reference)
BRN 1435710
Compound-4
Lodopin
Zotepina
Zotepine
Zotepinum
ATC N05AX11
CID 5736
CAS 026615214
SMILES CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(Cl)C=C3
Formula C18H18ClNOS
Molweight 331.86
Atoms 22
LogP 4.8809
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
1A1Substrate 10219963
1A2Substrate 10219963
10219963
2B6Substrate 10219963
2C19Substrate 10219963
2D6Substrate 10219963
10219963
3A4Substrate 12186270
10219963
3A5Substrate 10219963
Transporter
AC-No.NameReferences
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier)12366389
Q9P2U7Vesicular glutamate transporter 1 18155072
Aripiprazole

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Information Structure
Name Aripiprazole
Synonyms
7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-
7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-
Abilify
Abilitat
Aripiprazole
dihydro-2(1H)-quinolinone
OPC 31
ATC N05AX12
CID 60795
CAS 129722129
Drugbank ID DB01238
TTD Drug ID DAP000076
SMILES ClC1=C(Cl)C(=CC=C1)N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2
Formula C23H27Cl2N3O2
Molweight 448.385
Atoms 30
LogP 5.0002
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2D6Substrate Inhibitor Inducer 17214606
15257633
17164689
15770075
15257633
17965519
3A4Substrate 17214606
15770075
15257633
3A5Substrate medicine.iupui.edu/flockhart
3A7Substrate medicine.iupui.edu/flockhart
Transporter
AC-No.NameReferences
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier)12366389
Q9P2U7Vesicular glutamate transporter 1 18155072
Extrarenal fraction 0.99
Elimination half-life 75h
Paliperidone

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Information Structure
Name paliperidone
Synonyms
(9rs)-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl))ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4h-pyrido(1,2-a)pyrimidin-4-one
1,2-benzisoxazole, 4h-pyrido[1,2-a]pyrimidin-4-one Deriv.
130049-84-2
130049-86-4
144598-75-4
147687-18-1
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
4h-pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
4h-pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8-tetrahydro-9-hydroxy-2-methyl-
4h-pyrido(2,1-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-3-(2-(4-(6-fluro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-9-hydroxy-2-methyl-
4h-pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
9-hy
9-hydroxyrisperidone
ac-1282
ac1l3gs8
chebi:568656
chembl1621
cid115237
db01267
droxyrisperidone
ft-0080561
hms3261b06
i14-1945
invega
l023985
ls-134195
ncgc00186014-01
paliperidone
paliperidone [inn]
r 76477
r-76477
ro 76477
ro-76477
ro76477
tc-030009
unii-838f01t721
ATC N05AX13
CID 115237
CAS cid115237
Drugbank ID DB01267
TTD Drug ID DAP000847
Formula C23H27Cl2N3O2
Molweight 448.385
Atoms 30
LogP 5.0002
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier)12366389
Q9P2U7Vesicular glutamate transporter 1 18155072
Iloperidone

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Information Structure
Name iloperidone
Synonyms
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
133454-47-4
4'-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone
ac-3482
ac1l2g0k
ac1q5gsb
akos005146266
c24h27fn2o4
chebi:113949
chembl14376
cid71360
d02666
ethanone, 1-(4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)-
fanapt
fanapta
fanapta, Zomaril, Iloperidone
fiapta
ft-0084590
hp 873
hp-873
i06-2110
ilo-522
iloperidone
iloperidone (usan/inn)
iloperidone [usan:inn]
l001176
ls-172870
pdsp1_000514
pdsp1_000515
pdsp2_000512
pdsp2_000513
s1483_selleck
zomaril
ATC N05AX14
CID 71360
CAS cid71360
Drugbank ID DB04946
TTD Drug ID DCL000843
Formula C23H27Cl2N3O2
Molweight 448.385
Atoms 30
LogP 5.0002
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
Q4KMT7Uncoupling protein 1 (Mitochondrial, proton carrier)12366389
Q9P2U7Vesicular glutamate transporter 1 18155072
Reserpine

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Information Structure
Name Reserpine
Synonyms
(-)-Reserpine
1-Carpserp
11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic Acid Methyl Ester
3,4,5-Trimethoxybenzoyl Methyl Reserpate
3P Reserp
4-25-00-01319 (Beilstein Handbook Reference)
AI3-50146
Alkarau
Alserin
Anquil
Apoplon
Apsical
Ascoserpina
Austrapine
Banasil
Benazyl
Bioserpine
BRN 0102014
Carditivo
Carpacil
Carrserp
Caswell No. 722A
CCRIS 550
Chloroserp-250
Chloroserp-500
Chloroserpin-250
Chloroserpine-500
Crystoserpine
Demi-Regroton
Deserpine
Diupres 250
Diupres 500
Diurese-R
Diutensen-R
EINECS 200-047-9
Elserpine
Enipresser
ENT 50146
EPA Pesticide Chemical Code 123101
Escaspere
Eserpine
Eskaserp
Eskaserpine
Gilucard
H 520
Helfoserpin
Hiposerpil
Hiserpia
HSDB 213
Hydro-Fluserpine #1
Hydro-Reserpine-25
Hydro-Reserpine-50
Hydromox-R
Hydropine
Hydropres 25
Hydropres 50
Hydroserp
Hydroserpalan
Hydroserpine #1
Hydroserpine Plus
Hydrosine 25
Hypersil
Hypersine
Idsoserp
Interpina
Key-serpine
Kitine
Klimanosid
Lemiserp
Loweserp
Mallopress
Maviserpin
Mayserpine
Mephaserpin
Metatensin #2
Metatensin #4
Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate 3,4,5-trimethoxybenzoate (ester)
Methyl Reserpate 3,4,5-trimethoxybenzoic Acid Ester
NCI-C50157
Neo-antitensol
Neoserfin
Neoserp
NSC 237659
Purserpine
Quiescin
Rau-Sed
Raucap
Raudiford
Raudixoid
Raugal
Raulen
Rauloydin
Raumorine
Raunervil
Raunorine
Raupasil
Raupoid
Raurine
Rausan
Rausedan
Rausedil
Rausedyl
Rauserpin-Alk
Rauserpine
Rauserpol
Rausingle
Rautrin
Rauvlid
Rauwasedin
Rauwilid
Rauwipur
Rauwita
Rauwoleaf
Rawilid
RCRA Waste Number U200
Recipin
Regroton
Renese-R
Resaltex
Rese-Lar
Resedrex
Resedril
Reser-AR
Reserbal
Resercaps
Resercen
Reserfia
Reserjen
Reserlor
Reserp
Reserpal
Reserpamed
Reserpanca
Reserpene
Reserpex
Reserpic Acid Methyl Ester 3,4,5-trimethoxybenzoate (ester)
Reserpidefe
Reserpil
Reserpin
Reserpina
Reserpine
Reserpoid
Resine
Respital
Restran
Riserpa
Rivasin
Roxinoid
Sandril
ATC C02AA02
N05AX15
CID 5770
CAS 000050555
Drugbank ID DB00206
TTD Drug ID DAP000755
SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)C6=CC(OC)=C(OC)C(OC)=C6
Formula C33H40N2O9
Molweight 608.679
Atoms 50
LogP 4.109
Rotatable Bonds 10
H-Bond Donors 0
H-Bond Acceptors 11
CYP interactions
NameRelationsReferences
3A5Inducer 8632764
Transporter
AC-No.NameReferences
A2RUN4Solute carrier family 6 (Neurotransmitter transporter, dopamine), member 3 isoform CRA_b 19357284
P08183P-glycoprotein 110080959
P23975Sodium-dependent noradrenaline transporter20176067
P54219Vesicular amine transporter 18860238
Q05940SLC18A210633155
Q8WWH1ATP-binding cassette transporter 20421401
Q9UNQ0Mitoxantrone resistance-associated protein20538997
Extrarenal fraction 1
Elimination half-life 250h