(+)-butaclamol


SMILES O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C
InChIKey ZZJYIKPMDIWRSN-HWBMXIPRSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Molecular weight (Da) 361.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D1 D2 D3 D4 D5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.6 8.6 8.6 Guide to Pharmacology
D1 DRD1 Human Dopamine A pKi 6.5 7.5 8.5 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 7.5 8.1 8.7 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 6.3 6.3 6.3 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 7.6 7.6 7.6 Guide to Pharmacology
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.2 7.2 7.2 ChEMBL
D1 DRD1 Human Dopamine A pKi 8.37 8.53 8.7 ChEMBL
D3 DRD3 Human Dopamine A pKi 10.4 10.4 10.4 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.57 10.12 10.4 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.22 8.13 8.62 PDSP Ki database
5-HT2B F6QI78 Bovine 5-Hydroxytryptamine A pKi 7.77 7.77 7.77 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 8.38 8.45 8.52 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.11 9.17 10.3 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.68 8.77 8.85 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.97 5.97 5.97 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.93 7.48 8.35 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 7.8 8.76 9.52 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 5.89 5.89 5.89 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 7.84 8.43 9.02 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 9.26 9.27 9.27 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 7.1 7.64 8.67 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.17 6.3 6.43 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.96 8.3 8.64 PDSP Ki database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 7.57 7.57 7.57 PDSP Ki database
D2 DRD2 Mouse Dopamine A pKi 9.05 9.37 9.68 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.7 6.8 7.0 PDSP Ki database
D1 DRD1 Mouse Dopamine A pKi 9.02 9.02 9.02 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.68 6.3 6.83 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.7 7.35 8.0 Guide to Pharmacology
5-HT6 5HT6R Mouse 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 5.51 5.51 5.51 PDSP Ki database
D1 DRD1 Rhesus macaque Dopamine A pKi 8.04 8.04 8.04 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 9.3 9.3 9.3 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.8 8.13 8.8 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.3 8.78 9.09 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.95 5.0 ChEMBL