In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2005 | 22 | Yes |
Popular Name: Clomipramine hydrochloride Clomipramine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17321-77-6 , 17321-77-6, 303-49-1 , 17321-77-6, 303-49-1 [clomipramine] , 17321-77-6; 303-49-1 , 303-49-1 , [17321-77-6] , [303-49-1]
10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-5H-dibenz(b,f)azepine
17321-77-6 (mono-hydrochloride)
17321-77-6; Anafranil (TN); Clomipramine hydrochloride (JP16/USP); D00811
17321-77-6; Anafranil; CPD000058295; SAM002264601
17321-77-6; Clomipramine hydrochloride; Prestwick_72
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine
3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine
3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine hydrochloride
3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-aminehydrochloride
3-chloro-10,11-dihydro-N,N-dimethyl-5H-Dibenz(b,f)azepine-5-propanamine
3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine
3-Chloro-5-(3-(Dimethylamino)Propyl)-10,11-Dihydro-5H-Dibenz[B,F]Azepine Hydrochloride
3-Chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine
3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-5h-dibenz[b,f]azepine monohydrochloride
303-49-1; Anafranil (TN); Clomipramine (INN); D07727
303-49-1; C06918; Clomipramine
5-20-08-00103 (Beilstein Handbook Reference)
5H-Dibenz(b,f)azepine, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-
5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-
5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro- (8CI)
5H-Dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-
5H-Dibenz[b,f]azepine, 10,11-dihydro-3-chloro-5-[3-(dimethylamino)propyl]-
5H-Dibenz[b,f]azepine, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-
5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-
C19H23ClN2.HCl; Clomipramine Hydrochloride; LS-173091
Clomipramine hydrochloride (Anafranil)
Clomipramine Hydrochloride (FDA
CPD000058295; Clomipramine hydrochloride; SAM002264601
N-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N,N-di methylamine hydrochloride
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.82 | 13 | -36.13 | 1 | 2 | 1 | 8 | 315.868 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.44e-02 g/l | DrugBank-approved |
Target | 5-HT Receptor | Selleck Chemicals |
Purity | 95% | Fluorochem |
Indications | antidepressant | KeyOrganics Bioactives |
Patent Database Links | EP1438962; EP1671628; EP1754712; EP1782813; EP1815846; EP1829527; EP1829528; EP1829534; EP1844769; EP1852111; EP1867641; EP1946777; EP1990639; US2004142904; US2004171682; US2004254182; US2005070552; US2005281845; US2006135511; US2006148790; US2006258715 | ChEBI |
PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : C-4250; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: C-4250; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
Therapy | Serotonin reuptake inhibitor; antidepressant | SMDC Iconix |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT1A-1-E | Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5000 | 0.34 | Binding ≤ 10μM |
5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.34 | Binding ≤ 10μM |
5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.34 | Binding ≤ 10μM |
5HT1F-1-E | Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.34 | Binding ≤ 10μM |
5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.52 | Binding ≤ 10μM |
5HT2B-1-E | Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8 | 0.52 | Binding ≤ 10μM |
5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.52 | Binding ≤ 10μM |
5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.53 | Binding ≤ 10μM |
5HT5A-1-E | Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.53 | Binding ≤ 10μM |
5HT5B-1-E | Serotonin 5b (5-HT5b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.53 | Binding ≤ 10μM |
5HT6R-1-E | Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.53 | Binding ≤ 10μM |
5HT7R-1-E | Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.53 | Binding ≤ 10μM |
ADA1A-2-E | Alpha-1a Adrenergic Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 46 | 0.47 | Binding ≤ 10μM |
ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 46 | 0.47 | Binding ≤ 10μM |
ADA1D-2-E | Alpha-1d Adrenergic Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 46 | 0.47 | Binding ≤ 10μM |
ADA2A-2-E | Alpha-2a Adrenergic Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 51 | 0.46 | Binding ≤ 10μM |
ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 51 | 0.46 | Binding ≤ 10μM |
ADA2C-2-E | Alpha-2c Adrenergic Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 51 | 0.46 | Binding ≤ 10μM |
ADCY1-1-E | Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 55 | 0.46 | Binding ≤ 10μM |
ADCY2-2-E | Adenylate Cyclase Type II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 55 | 0.46 | Binding ≤ 10μM |
ADCY8-1-E | Adenylate Cyclase Type VIII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 55 | 0.46 | Binding ≤ 10μM |
ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 46 | 0.47 | Binding ≤ 10μM |
ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 46 | 0.47 | Binding ≤ 10μM |
ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 46 | 0.47 | Binding ≤ 10μM |
HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.32 | Binding ≤ 10μM |
SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.32 | Binding ≤ 10μM |
SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.32 | Binding ≤ 10μM |
SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.32 | Binding ≤ 10μM |
TYTR-1-E | Trypanothione Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7000 | 0.33 | Binding ≤ 10μM |
ADCY1-1-E | Brain Adenylate Cyclase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4400 | 0.34 | Functional ≤ 10μM |
ADCY2-1-E | Adenylate Cyclase Type II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4400 | 0.34 | Functional ≤ 10μM |
ADCY8-1-E | Adenylate Cyclase Type VIII (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4400 | 0.34 | Functional ≤ 10μM |
HRH2-1-E | Histamine H2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 720 | 0.39 | Functional ≤ 10μM |
Q9WTR4-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 900 | 0.38 | Functional ≤ 10μM |
SC6A3-1-E | Dopamine Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.38 | Functional ≤ 10μM |
SC6A4-1-E | Serotonin Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 90 | 0.45 | Functional ≤ 10μM |
DRD2-14-E | Dopamine D2 Receptor (cluster #14 Of 24), Eukaryotic | Eukaryotes | 56 | 0.46 | Binding ≤ 10μM |
Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 75 | 0.45 | Binding ≤ 10μM |
Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5012 | 0.34 | Functional ≤ 10μM |
Z50466-1-O | Trypanosoma Cruzi (cluster #1 Of 8), Other | Other | 8000 | 0.32 | Functional ≤ 10μM |
Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 9500 | 0.32 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADCY2_HUMAN | Q08462 | Adenylate Cyclase Type II, Human | 43 | 0.47 | Binding ≤ 1μM |
ADCY8_HUMAN | P40145 | Adenylate Cyclase Type VIII, Human | 43 | 0.47 | Binding ≤ 1μM |
Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 75 | 0.45 | Binding ≤ 1μM |
ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 0.1 | 0.64 | Binding ≤ 1μM |
ADA1B_RAT | P15823 | Alpha-1b Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 1μM |
ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 1μM |
ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 1μM |
ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 1μM |
ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 1μM |
ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 1μM |
ADRB2_RAT | P10608 | Beta-2 Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 1μM |
ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 1μM |
ADCY1_HUMAN | Q08828 | Brain Adenylate Cyclase 1, Human | 43 | 0.47 | Binding ≤ 1μM |
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 56 | 0.46 | Binding ≤ 1μM |
HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 0.2 | 0.62 | Binding ≤ 1μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT4R_RAT | Q62758 | Serotonin 4 (5-HT4) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT5A_RAT | P35364 | Serotonin 5a (5-HT5a) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT5B_RAT | P35365 | Serotonin 5b (5-HT5b) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT6R_RAT | P31388 | Serotonin 6 (5-HT6) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 5 | 0.53 | Binding ≤ 1μM |
ADCY2_HUMAN | Q08462 | Adenylate Cyclase Type II, Human | 43 | 0.47 | Binding ≤ 10μM |
ADCY8_HUMAN | P40145 | Adenylate Cyclase Type VIII, Human | 43 | 0.47 | Binding ≤ 10μM |
Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 75 | 0.45 | Binding ≤ 10μM |
ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 0.1 | 0.64 | Binding ≤ 10μM |
ADA1B_RAT | P15823 | Alpha-1b Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 10μM |
ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 10μM |
ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 10μM |
ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 10μM |
ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 10μM |
ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 10μM |
ADRB2_RAT | P10608 | Beta-2 Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 10μM |
ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 46 | 0.47 | Binding ≤ 10μM |
ADCY1_HUMAN | Q08828 | Brain Adenylate Cyclase 1, Human | 43 | 0.47 | Binding ≤ 10μM |
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 56 | 0.46 | Binding ≤ 10μM |
HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 0.2 | 0.62 | Binding ≤ 10μM |
5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT4R_RAT | Q62758 | Serotonin 4 (5-HT4) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT5A_RAT | P35364 | Serotonin 5a (5-HT5a) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT5B_RAT | P35365 | Serotonin 5b (5-HT5b) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT6R_RAT | P31388 | Serotonin 6 (5-HT6) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 5 | 0.53 | Binding ≤ 10μM |
SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 10000 | 0.32 | Binding ≤ 10μM |
SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 10000 | 0.32 | Binding ≤ 10μM |
SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 10000 | 0.32 | Binding ≤ 10μM |
SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 10000 | 0.32 | Binding ≤ 10μM |
TYTR_TRYCR | P28593 | Trypanothione Reductase, Trycr | 6500 | 0.33 | Binding ≤ 10μM |
ADCY2_HUMAN | Q08462 | Adenylate Cyclase Type II, Human | 4400 | 0.34 | Functional ≤ 10μM |
ADCY8_HUMAN | P40145 | Adenylate Cyclase Type VIII, Human | 4400 | 0.34 | Functional ≤ 10μM |
ADCY1_HUMAN | Q08828 | Brain Adenylate Cyclase 1, Human | 4400 | 0.34 | Functional ≤ 10μM |
SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 1000 | 0.38 | Functional ≤ 10μM |
HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 720 | 0.39 | Functional ≤ 10μM |
Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 700 | 0.39 | Functional ≤ 10μM |
Z50425 | Z50425 | Plasmodium Falciparum | 5011.87234 | 0.34 | Functional ≤ 10μM |
Z50597 | Z50597 | Rattus Norvegicus | 750 | 0.39 | Functional ≤ 10μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 70 | 0.46 | Functional ≤ 10μM |
SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 20 | 0.49 | Functional ≤ 10μM |
Z50466 | Z50466 | Trypanosoma Cruzi | 8000 | 0.32 | Functional ≤ 10μM |
Description | Species |
---|---|
Adenylate cyclase activating pathway | |
Adenylate cyclase inhibitory pathway | |
Adrenaline signalling through Alpha-2 adrenergic receptor | |
Adrenaline,noradrenaline inhibits insulin secretion | |
Adrenoceptors | |
CREB phosphorylation through the activation of Adenylate Cyclase | |
Dopamine clearance from the synaptic cleft | |
Dopamine receptors | |
G alpha (12/13) signalling events | |
G alpha (i) signalling events | |
G alpha (q) signalling events | |
G alpha (s) signalling events | |
G alpha (z) signalling events | |
Glucagon signaling in metabolic regulation | |
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | |
Histamine receptors | |
Interaction between L1 and Ankyrins | |
Na+/Cl- dependent neurotransmitter transporters | |
PKA activation | |
PKA activation in glucagon signalling | |
Serotonin receptors | |
Vasopressin regulates renal water homeostasis via Aquaporins |