N-desmethylclozapine


SMILES Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1
InChIKey HESZUPIXRNZIOI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 312.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations M1 M2 M4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.54 6.54 6.54 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.05 7.05 7.05 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.1 7.1 7.1 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.6 6.6 6.6 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.22 7.22 7.22 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.86 7.86 7.86 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.39 6.39 6.39 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 6.41 6.41 6.41 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.96 7.96 7.96 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.55 8.55 8.55 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.94 7.94 7.94 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.17 7.17 7.17 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.38 6.38 6.38 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.02 7.02 7.02 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.77 6.77 6.77 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.45 7.45 7.45 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.29 7.29 7.29 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.07 7.07 7.07 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 6.98 6.98 6.98 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.86 6.86 6.86 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 7.02 7.02 7.02 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.93 6.93 6.93 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.2 5.2 5.2 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.33 5.33 5.33 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 7.84 7.84 7.84 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.94 7.0 7.05 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.31 6.31 6.31 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.82 6.82 6.82 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.99 7.28 7.7 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.55 6.55 6.55 PDSP Ki database
H1 HRH1 Human Histamine A pKi 8.47 8.47 8.47 PDSP Ki database
H2 HRH2 Human Histamine A pKi 6.46 6.46 6.46 PDSP Ki database
H4 HRH4 Human Histamine A pKi 5.99 5.99 5.99 PDSP Ki database
δ OPRD Human Opioid A pKi 6.89 6.89 6.89 PDSP Ki database
κ OPRK Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
μ OPRM Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
V2 V2R Human Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
CB2 CNR2 Human Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
EP3 PE2R3 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 6.63 6.63 6.63 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.83 7.83 7.83 PDSP Ki database
H3 HRH3 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pEC50 6.4 6.4 6.4 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pEC50 6.17 6.17 6.17 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 6.85 7.31 7.75 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 7.3 7.3 7.3 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pEC50 6.77 6.77 6.77 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pIC50 6.8 6.8 6.8 Guide to Pharmacology