ulotaront


SMILES CNC[C@@H]1OCCc2c1scc2
InChIKey ABDDQTDRAHXHOC-QMMMGPOBSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 183.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8JLK 8W8B 8WC3 8JLO 8JSP 8W88

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 5.64 5.64 5.64 Guide to Pharmacology
TA1 TAAR1 Human Trace amine A pIC50 6.85 6.85 6.85 Guide to Pharmacology
TA1 TAAR1 Human Trace amine A pEC50 6.85 7.13 7.42 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 5.64 5.64 5.64 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.0 5.0 5.0 ChEMBL
D2 DRD2 Human Dopamine A pIC50 4.62 4.62 4.62 ChEMBL