CHEMBL5169872


SMILES Cc1cc(C)n2c1C=C1C=CC(/C=C/c3ccc(OCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCN4CCC(Oc5ccccc5Cc5ccccc5)CC4)C(N)=O)cc3)=[N+]1[B-]2(F)F
InChIKey JKMVAXNZPXEDRN-ZMRYOQFXSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 30
Molecular weight (Da) 1204.6

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
H1 HRH1 Human Histamine A pKd 7.36 7.36 7.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database