CHEMBL4163618


SMILES CC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccccc1)N(C)C)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 YUUZXYIURFEAIK-WJUYPRDGSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 22
Molecular weight (Da) 931.5

Drug properties

Molecular type Small molecule
Endogenous/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
ACKR3 ACKR3 Human Chemokine A pEC50 4.98 4.98 4.98 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 5.21 5.21 5.21 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.26 5.26 5.26 ChEMBL