(-)-stepholidine


SMILES COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O
InChIKey JKPISQIIWUONPB-HNNXBMFYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 327.1

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
D2 DRD2 Human Dopamine A pKi 7.94 7.94 7.94 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKi 7.52 7.52 7.52 ChEMBL
D5 DRD5 Human Dopamine A pKi 8.36 8.36 8.36 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 5.65 5.65 5.65 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.43 5.43 5.43 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.91 8.21 8.47 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.05 7.36 7.52 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.01 6.84 7.96 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.65 6.65 6.65 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 5.16 5.16 5.16 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.67 6.67 6.67 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 8.23 8.23 8.23 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.01 6.01 6.01 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 8.36 8.36 8.36 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H2 HRH2 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H4 HRH4 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
δ OPRD 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
CB1 CNR1 Human Cannabinoid 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
D3 DRD3 Rat Dopamine A pKi 7.52 7.52 7.52 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.84 6.84 6.84 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.16 5.16 5.16 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.43 5.43 5.43 PDSP Ki database
κ OPRK 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
D1 DRD1 Rat Dopamine A pEC50 4.39 4.39 4.39 ChEMBL
D1 DRD1 Human Dopamine A pIC50 7.91 7.91 7.91 ChEMBL
D1 DRD1 Human Dopamine A pEC50 7.64 7.64 7.64 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.36 6.17 6.98 ChEMBL