CHEMBL302823


SMILES COC(=O)c1ccc(Cn2cc(CN3CCCC3)c3ccc(NC(=O)N[C@@H](Cc4ccc(OC)cc4)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC4CCCCC4)cc32)cc1
InChIKey MSQMVNBTMHCQCJ-ZAQUEYBZSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 19
Molecular weight (Da) 835.5

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAR1 PAR1 Human Proteinase-activated A pIC50 4.41 4.94 5.46 ChEMBL