oxybutynin


SMILES CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC
InChIKey XIQVNETUBQGFHX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 357.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.9 7.96 8.1 Guide to Pharmacology
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.8 8.8 8.8 Guide to Pharmacology
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.4 8.55 8.7 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.9 7.9 7.9 Guide to Pharmacology
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.2 8.2 8.2 Guide to Pharmacology
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 8.28 8.65 9.02 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 7.85 8.0 8.16 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.85 8.24 8.63 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.44 9.0 9.56 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.82 9.02 9.24 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 7.4 7.4 7.4 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.8 7.96 8.09 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.62 8.9 9.07 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.84 6.84 6.84 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.5 8.5 8.5 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 9.19 9.19 9.19 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 9.2 9.2 9.2 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 9.35 9.35 9.35 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 9.0 9.0 9.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.09 8.09 8.09 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 9.11 9.11 9.11 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.09 8.09 8.09 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.04 8.04 8.04 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.11 8.11 8.11 Drug Central
D3 DRD3 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.09 8.09 8.09 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.08 8.08 8.08 Drug Central
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 8.04 8.04 8.04 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.6 8.6 8.6 Guide to Pharmacology
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.07 8.07 8.07 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.23 8.23 8.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 8.49 8.49 8.49 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 8.7 8.7 8.7 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 8.57 8.57 8.57 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.1 6.1 6.1 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 7.57 7.57 7.57 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 8.45 8.45 8.45 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.37 6.37 6.37 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL