MRS4833


SMILES C1[C@@H]2CNC[C@H]1C2(C3=CC=C(C=C3)C4=C5C=CC(=CC5=CC(=C4)C(=O)O)C6=CC=C(C=C6)C(F)(F)F)O
InChIKey BFIYEIMEFITOEG-CIYIZKPCSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 503.2

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
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.22 5.22 5.22 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.22 5.22 5.22 ChEMBL
P2Y14 P2Y14 Human P2Y A pKi 8.46 8.46 8.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Human P2Y A pIC50 8.23 8.23 8.23 Guide to Pharmacology
P2Y14 P2Y14 Human P2Y A pIC50 8.23 8.23 8.23 ChEMBL
P2Y14 P2Y14 Mouse P2Y A pIC50 8.32 8.32 8.32 ChEMBL