clomipramine


SMILES CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C
InChIKey GDLIGKIOYRNHDA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 314.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 8.1 8.1 8.1 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pKi 7.14 7.14 7.14 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.4 7.4 7.4 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.06 7.06 7.06 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.34 7.34 7.34 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.42 7.42 7.42 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.69 6.69 6.69 ChEMBL
H2 HRH2 Human Histamine A pKi 5.7 5.7 5.7 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.89 7.89 7.89 ChEMBL
H1 HRH1 Human Histamine A pKi 8.01 8.01 8.01 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.44 7.44 7.44 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.25 7.25 7.25 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.28 6.28 6.28 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.25 6.25 6.25 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.94 6.95 6.95 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.82 6.82 6.82 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.07 7.07 7.07 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.75 7.75 7.75 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.66 7.66 7.66 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.33 7.33 7.33 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.72 7.72 7.72 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.86 6.86 6.86 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.82 7.93 8.01 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.66 6.66 6.66 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.79 6.95 7.11 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.3 7.41 7.52 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 7.28 7.47 7.66 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.27 7.27 7.27 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.45 7.45 7.45 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.19 7.19 7.19 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 8.49 8.49 8.49 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.28 6.28 6.28 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.12 8.12 8.12 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.15 8.15 8.15 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.13 8.13 8.13 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.1 8.1 8.1 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.13 8.13 8.13 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.07 8.07 8.07 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
D1 DRD1 Human Dopamine A pKi 8.18 8.18 8.18 Drug Central
D2 DRD2 Human Dopamine A pKi 8.16 8.16 8.16 Drug Central
D3 DRD3 Human Dopamine A pKi 8.13 8.13 8.13 Drug Central
H1 HRH1 Human Histamine A pKi 8.1 8.1 8.1 Drug Central
H2 HRH2 Human Histamine A pKi 8.24 8.24 8.24 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.14 8.14 8.14 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Rat Histamine A pIC50 9.7 9.7 9.7 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 6.88 6.88 6.88 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 7.0 8.7 10.4 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.85 6.42 7.0 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.75 6.75 6.75 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.0 7.0 7.0 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 7.28 7.28 7.28 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.85 5.85 5.85 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.69 5.69 5.69 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 7.04 7.04 7.04 ChEMBL
H1 HRH1 Human Histamine A pIC50 7.07 7.07 7.07 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 6.77 6.77 6.77 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.85 5.85 5.85 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.95 5.95 5.95 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.61 6.61 6.61 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.62 6.62 6.62 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.62 6.62 6.62 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 7.47 7.47 7.47 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 7.04 7.04 7.04 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.86 6.86 6.86 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.17 7.17 7.17 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.38 6.38 6.38 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.1 5.83 6.2 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 7.98 7.98 7.98 Drug Central
H1 HRH1 Rat Histamine A pIC50 8.01 8.01 8.01 Drug Central
NPS NPSR1 Human Neuropeptide S A Potency 5.2 5.2 5.2 ChEMBL