domitroban


SMILES OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2
InChIKey PWTCIBWRMQFJBC-ZEMKZVSASA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 377.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TP TA2R Mouse Prostanoid A pKi 9.2 9.2 9.2 Guide to Pharmacology
TP TA2R Mouse Prostanoid A pKd 8.5 8.5 8.5 Guide to Pharmacology
TP TA2R Human Prostanoid A pKd 8.9 8.9 8.9 Guide to Pharmacology
TP TA2R Human Prostanoid A pKi 9.6 9.6 9.6 Guide to Pharmacology
TP TA2R Human Prostanoid A pKi 8.02 8.02 8.02 Drug Central
TP TA2R Mouse Prostanoid A pKi 8.04 8.04 8.04 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database