Compound - Results

Zimeldine

Java required.


Information Structure
Name Zimeldine
Synonyms
(Z)-3-(4-Bromophenyl)-3-(3-pyridyl)dimethylallylamine
(Z)-Zimelidine
3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
5-22-10-00534 (Beilstein Handbook Reference)
Allylamine, 3-(p-bromophenyl)-N,N-dimethyl-3-(3-pyridyl)-
BRN 0479680
cis-H 102/09
cis-Zimelidine
Zimeldina
Zimeldine
Zimeldinum
Zimelidine (Z)
ATC N06AB02
CID 41987
CAS 056775883
SMILES CN(C)CC=C(C1=CC=C(Br)C=C1)C2=CC=CN=C2
Formula C16H17BrN2
Molweight 317.224
Atoms 19
LogP 3.8374
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 2
Fluoxetine

Java required.


Information Structure
Name Fluoxetine
Synonyms
(+) Or (-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine
(+) Or (-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
(+-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine
(+-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
Animex-On
Benzenepropamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-
Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-
dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
Eufor
Fluoxetina
Fluoxetine
Fluoxetinum
HSDB 6633
N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine
Portal
Prozac
Pulvules
ATC N06AB03
CID 3386
CAS 054910893
Drugbank ID DB00472
TTD Drug ID DAP000186
SMILES CNCC[C@@H](OC1=CC=C(C=C1)C(F)(F)F)C2=CC=CC=C2
Formula C17H18F3NO
Molweight 309.326
Atoms 22
LogP 4.8259
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
1A2Substrate Inhibitor umm
10997938
2B6Substrate Inhibitor 10997938
umm
2C8Substrate Inhibitor umm
2C9Substrate Inhibitor 11730569
umm
10997938
9298519
8861776
11304903
12548158
2C19Substrate Inhibitor 11730569
8880055
umm
10997938
8846622
11270912
2D6Substrate Inhibitor umm
12709723
12692778
12438554
12404686
11910262
11835104
11505218
11304901
10997938
15199661
9690701
11356927
15692832
12006904
14703714
11304903
16192107
2E1Substrate umm
9298519
12692778
11996015
3A4Substrate Inhibitor umm
9298519
10997938
15544435
11752104
Phase2 interactions
NameReferences
NAT 9951564
Transporter
AC-No.NameReferences
A2RUN4Dopamine transporter 19453722
Q05940Synaptic vesicular amine transporter 19376154
Q9P2U7Vesicular glutamate transporter 1 15992385
Extrarenal fraction 0.85
Elimination half-life 48h
Citalopram

Java required.


Information Structure
Name Citalopram
Synonyms
1,3-Dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile
1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile
Cipram
Citalopram
Citalopramum
EINECS 261-891-1
Lu 10-171
Nitalapram
ATC N06AB04
CID 6101829
CAS 059729338
SMILES CN(C)CCC[C@@]1(OCC2=C1C=CC(=C2)C#N)C3=CC=C(F)C=C3
Formula C20H21FN2O
Molweight 324.392
Atoms 24
LogP 3.81298
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Inhibitor umm
10494454
2B6Inhibitor umm
2C19Substrate Inhibitor 10575324
10494454
10494454
9023308
umm
2D6Substrate Inhibitor 9068931
umm
10575324
15199661
7622807
2E1Substrate 12692778
3A4Substrate 9023308
10575324
10494454
15068562
9110356
Transporter
AC-No.NameReferences
A2RUN4Dopamine transporter 19404616
Extrarenal fraction 0.7
Elimination half-life 35h
Paroxetine

Java required.


Information Structure
Name Paroxetine
Synonyms
(-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-(methylenedioxy)phenoxy)methyl)piperidine
BRL 29060
FG 7051
Paroxetina
Paroxetine
Paroxetinum
Paxil CR
Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S,4R)-
ATC N06AB05
CID 43815
CAS 061869087
Drugbank ID DB00715
TTD Drug ID DAP001428
SMILES FC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=CC4=C(OCO4)C=C3
Formula C19H20FNO3
Molweight 329.365
Atoms 26
LogP 3.6553
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 5
CYP interactions
NameRelationsReferences
1A2Inhibitor 11910269
9617978
2B6Inhibitor 10997936
2C8Inhibitor 12756206
2C9Inhibitor 9384467
9384467
2C19Inhibitor 11910269
2D6Substrate Inhibitor 11910269
12584155
8513845
11420571
15570195
10991840
15199661
15903129
15910012
15692832
12584155
15788540
14703714
3A4Inhibitor 10885584
11910269
Transporter
AC-No.NameReferences
Q9P2U7SLC17A715992385
Extrarenal fraction 0.95
Elimination half-life 17h
Sertraline

Java required.


Information Structure
Name Sertraline
Synonyms
(1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine
BRN 5753709
Cp 51974
HSDB 7037
Sertralina
Sertraline
Sertralinum
ATC N06AB06
CID 5203
CAS 079617962
SMILES CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C3=C1C=CC=C3
Formula C17H17Cl2N
Molweight 306.23
Atoms 20
LogP 5.5705
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 1
CYP interactions
NameRelationsReferences
1A2Substrate 11420570
2B6Substrate Inhibitor umm
15547048
10997936
2C9Substrate Inhibitor medicine.iupui.edu/flockhart
10510155
9808080
8861776
15547048
9384467
11420570
2C19Substrate Inhibitor 11420570
12143142
11452243
9808080
8667235
8861776
15547048
11996015
2D6Substrate Inhibitor umm
12143142
15547048
15199661
15199661
9284850
3A4Substrate Inhibitor 10774624
11996015
14709940
10890261
15547048
Transporter
AC-No.NameReferences
Q9P2U7SLC17A715992385
Extrarenal fraction 1
Elimination half-life 24h
Alaproclate

Java required.


Information Structure
Name Alaproclate
Synonyms
4-Chlor-alpha,alpha-dimethylphenethyl (RS)-2-aminopropionat
Alaproclate
Alaproclato
Alaproclatum
DL-Alanin 4-chlor-alpha,alpha-dimethylphenethylester
DL-Alanine P-chloro-alpha,alpha-dimethylphenethyl Ester
GEA 654
ATC N06AB07
CID 6603696
CAS 060719826
SMILES C[C@@H](N)C(=O)OC(C)(C)CC1=CC=C(Cl)C=C1
Formula C13H18ClNO2
Molweight 255.741
Atoms 17
LogP 3.2518
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
Q9P2U7SLC17A715992385
Fluvoxamine

Java required.


Information Structure
Name Fluvoxamine
Synonyms
Fluvoxamina
Fluvoxamine
Fluvoxaminum
ATC N06AB08
CID 3404
CAS 054739183
Drugbank ID DB00176
TTD Drug ID DAP000740
SMILES COCCCCC(=N/OCCN)C1=CC=C(C=C1)C(F)(F)F
Formula C15H21F3N2O2
Molweight 318.335
Atoms 22
LogP 3.9018
Rotatable Bonds 10
H-Bond Donors 0
H-Bond Acceptors 7
CYP interactions
NameRelationsReferences
1A1Inhibitor 7742153
9105404
11599655
1A2Substrate Inhibitor 12352274
11791895
15905806
15199661
9105404
9111224
14642738
11270913
14703714
12695344
9617978
12452751
medicine.iupui.edu/flockhart
8466541
17596106
2B6Inhibitor umm
10997936
2C8Inhibitor umm
2C9Inhibitor 10192756
umm
15199661
11180037
2C19Inhibitor 12452751
17596106
umm
15199661
12695344
2D6Substrate Inhibitor medicine.iupui.edu/flockhart
umm
10954064
9565774
8885123
8823236
11791895
15199661
11085201
2E1Substrate 12692778
3A4Inhibitor 12452751
7742153
9923581
10653206
3A5Inhibitor 7742153
3A7Inhibitor 7742153
Transporter
AC-No.NameReferences
Q9P2U7SLC17A715992385
Extrarenal fraction 1
Elimination half-life 20h
Etoperidone

Java required.


Information Structure
Name Etoperidone
Synonyms
Etoperidona
Etoperidone
Etoperidonum
ATC N06AB09
CID 40589
CAS 052942311
SMILES CCN1C(=O)N(CCCN2CCN(CC2)C3=CC(Cl)=CC=C3)N=C1CC
Formula C19H28ClN5O
Molweight 377.912
Atoms 26
LogP 2.4957
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
3A4Substrate 12487725
12487725
Transporter
AC-No.NameReferences
Q9P2U7SLC17A715992385
Escitalopram

Java required.


Information Structure
Name Escitalopram
Synonyms
(S)-Citalopram
Escitalopram
S(+)-Citalopram
ATC N06AB10
CID 146570
CAS 128196010
Drugbank ID DB01175
TTD Drug ID DAP000741
SMILES CN(C)CCC[C@]1(OCC2=CC(=CC=C12)C#N)C3=CC=C(F)C=C3
Formula C20H21FN2O
Molweight 324.392
Atoms 24
LogP 3.81298
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
2C19Substrate 15057659
2D6Substrate Inhibitor 15057659
medicine.iupui.edu/flockhart
3A4Substrate 15057659
12809966
Transporter
AC-No.NameReferences
Q9P2U7SLC17A715992385