CHEMBL1098230


SMILES CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1
InChIKey PQPVHIHIJVIEQG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 260.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pKi 8.96 8.96 8.96 ChEMBL
H3 HRH3 Human Histamine A pKi 9.37 9.5 9.77 ChEMBL
H1 HRH1 Human Histamine A pKi 6.0 6.0 6.0 PDSP Ki database
H3 HRH3 Human Histamine A pKi 9.77 9.77 9.77 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.0 6.0 6.0 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 6.0 6.0 6.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 6.0 6.0 6.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.0 6.0 6.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.0 6.0 6.0 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.0 6.0 6.0 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.0 6.0 6.0 PDSP Ki database
H2 HRH2 Human Histamine A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pEC50 9.12 9.12 9.12 ChEMBL