RESERPINE


SMILES COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
InChIKey QEVHRUUCFGRFIF-MDEJGZGSSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 608.3

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
μ OPRM Human Opioid A pKi 5.77 5.77 5.77 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.41 5.41 5.41 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.23 6.23 6.23 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.22 6.22 6.22 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.74 5.74 5.74 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.51 5.51 5.51 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.51 5.51 5.51 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.21 8.21 8.21 Drug Central
D1 DRD1 Human Dopamine A pKi 8.27 8.27 8.27 Drug Central
μ OPRM Human Opioid A pKi 8.24 8.24 8.24 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
D3 DRD3 Human Dopamine A pKi 8.21 8.21 8.21 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.05 5.15 5.25 ChEMBL
μ OPRM Human Opioid A pIC50 5.38 5.38 5.38 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.8 4.8 4.8 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL