CHEMBL4161021


SMILES CC[C@H](C)[C@@H](OC(=O)/C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
InChIKey BLBGDRJUWRFEDQ-QPAOXQKGSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 20
Molecular weight (Da) 886.5

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
CCR10 CCR10 Human Chemokine A pIC50 5.57 5.57 5.57 ChEMBL
ACKR3 ACKR3 Human Chemokine A pEC50 5.23 5.23 5.23 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pIC50 5.24 5.24 5.24 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.34 5.34 5.34 ChEMBL