amoxapine


SMILES Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1
InChIKey QWGDMFLQWFTERH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 0
Molecular weight (Da) 313.1

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
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 Guide to Pharmacology
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.5 7.85 8.2 Guide to Pharmacology
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.7 8.7 8.7 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.4 7.4 7.4 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pKi 7.22 7.22 7.22 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.84 6.84 6.84 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.82 6.82 6.82 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.59 6.59 6.59 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.21 6.21 6.21 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.34 6.34 6.34 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.62 6.62 6.62 ChEMBL
H1 HRH1 Human Histamine A pKi 7.96 7.96 7.96 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.42 6.42 6.42 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.47 7.47 7.47 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.31 6.31 6.31 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.71 6.71 6.71 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.46 7.46 7.46 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.03 6.03 6.03 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.7 8.7 8.7 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.34 7.34 7.34 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.75 9.05 9.35 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.66 6.66 6.66 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.17 7.17 7.17 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.7 8.7 8.7 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.89 8.95 9.0 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 7.04 7.04 7.04 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 7.7 7.7 7.7 PDSP Ki database
5-HT7 5HT7R Guinea pig 5-Hydroxytryptamine A pKi 5.85 6.29 6.73 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.52 7.87 8.22 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 7.42 7.89 8.44 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 7.4 8.05 8.7 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.51 7.73 7.96 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.39 7.39 7.4 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.06 8.06 8.06 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.09 8.09 8.09 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.06 8.06 8.06 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.22 8.22 8.22 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.19 8.19 8.19 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.18 8.18 8.18 Drug Central
D2 DRD2 Human Dopamine A pKi 8.11 8.11 8.11 Drug Central
D3 DRD3 Human Dopamine A pKi 8.11 8.11 8.11 Drug Central
H1 HRH1 Human Histamine A pKi 8.1 8.1 8.1 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.21 8.21 8.21 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.09 8.09 8.09 Drug Central
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.06 8.06 8.06 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
H1 HRH1 Human Histamine A pKi 5.3 5.3 5.3 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.3 9.3 9.3 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.54 6.54 6.54 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
D1 DRD1 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
D4 DRD4 Human Dopamine A pKi 8.13 8.13 8.13 Drug Central
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 6.96 6.96 6.96 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.45 6.45 6.45 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.1 5.25 5.4 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.51 6.51 6.51 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.25 6.25 6.25 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 6.07 6.07 6.07 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.5 5.5 5.5 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.76 5.76 5.76 ChEMBL
H1 HRH1 Human Histamine A pIC50 7.0 7.0 7.0 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 5.75 5.75 5.75 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.88 5.88 5.88 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.41 6.41 6.41 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 7.12 7.12 7.12 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 8.0 8.0 8.0 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.58 5.58 5.58 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 8.42 8.42 8.42 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.87 6.87 6.87 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 8.81 8.81 8.81 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.7 6.7 6.7 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.19 8.19 8.19 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.92 5.92 5.92 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.5 4.5 4.5 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.8 4.8 4.8 ChEMBL