ASENAPINE


SMILES CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1
InChIKey VSWBSWWIRNCQIJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Molecular weight (Da) 285.1

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-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 9.4 9.64 9.89 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.17 7.21 7.26 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.27 7.7 8.0 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.99 8.07 8.14 PDSP Ki database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 9.14 9.14 9.14 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 9.05 9.05 9.05 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 7.62 7.96 8.3 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 8.7 8.85 9.0 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 7.43 7.7 7.96 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.11 9.41 9.59 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 7.98 8.09 8.19 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.59 8.72 8.85 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.74 8.74 8.74 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 7.97 8.64 9.31 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 7.75 7.82 7.89 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.3 5.3 5.3 PDSP Ki database
H1 HRH1 Human Histamine A pKi 8.03 8.91 9.8 PDSP Ki database
H2 HRH2 Human Histamine A pKi 8.24 8.24 8.24 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 9.6 9.6 9.6 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.6 8.61 8.61 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.04 9.04 9.04 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.01 8.01 8.01 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 Drug Central
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.04 8.04 8.04 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.02 8.02 8.02 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.21 8.21 8.21 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.05 8.05 8.05 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.08 8.08 8.08 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 9.57 9.63 9.7 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.72 7.72 7.72 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 7.74 7.74 7.74 PDSP Ki database
μ OPRM Rat Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
PAF PTAFR Human Platelet-activating factor A pKi 6.0 6.0 6.0 PDSP Ki database
TP TA2R Human Prostanoid A pKi 6.0 6.0 6.0 PDSP Ki database
δ OPRD Mouse Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
κ OPRK Guinea pig Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.28 8.34 8.41 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.85 8.85 8.85 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 9.05 9.05 9.05 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.11 6.11 6.11 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.49 5.49 5.49 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.57 6.57 6.57 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 8.41 8.41 8.41 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 8.36 8.36 8.36 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 8.54 8.54 8.54 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.74 8.74 8.74 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 7.64 7.64 7.64 PDSP Ki database
H2 HRH2 Human Histamine A pKi 8.64 8.64 8.64 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
EP3 PE2R3 Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
EP4 PE2R4 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 9.1 9.1 9.1 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.22 8.22 8.22 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.06 8.06 8.06 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
D1 DRD1 Human Dopamine A pKi 8.06 8.06 8.06 Drug Central
D2 DRD2 Human Dopamine A pKi 8.06 8.06 8.06 Drug Central
D3 DRD3 Human Dopamine A pKi 8.04 8.04 8.04 Drug Central
D4 DRD4 Human Dopamine A pKi 8.06 8.06 8.06 Drug Central
H1 HRH1 Human Histamine A pKi 8.05 8.05 8.05 Drug Central
CCK2 GASR Rat Cholecystokinin A pKi 6.0 6.0 6.0 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 8.7 8.7 8.7 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 9.77 9.77 9.77 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.02 8.02 8.02 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.04 6.04 6.04 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.26 8.26 8.26 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 5.3 5.3 5.3 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 8.12 8.12 8.12 Drug Central
H4 HRH4 Human 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
H2 HRH2 Human Histamine A pIC50 8.09 8.09 8.09 Drug Central