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

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.29 7.29 7.29 ChEMBL
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
D2 DRD2 Human Dopamine A pKi 6.31 6.31 6.31 ChEMBL
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.83 7.83 7.83 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.94 7.0 7.05 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.99 7.28 7.7 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.82 6.82 6.82 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.86 7.86 7.86 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
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
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
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
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
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
CB1 CNR1 Rat Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.39 6.39 6.39 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.38 6.38 6.38 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.86 6.86 6.86 PDSP Ki database
μ OPRM Human Opioid A pKi 5.0 5.0 5.0 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
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 7.3 7.3 7.3 Guide to Pharmacology
M1 ACM1 Rat Acetylcholine (muscarinic) A pIC50 6.8 6.8 6.8 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pEC50 6.77 6.77 6.77 ChEMBL
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