CHEMBL509792


SMILES CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6cc(O)cc7c6[C@@]4(CCN5C)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21
InChIKey YLANCCITSFOFMP-VGGGFDDDSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 8
Rotatable bonds 19
Molecular weight (Da) 1001.4

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
CCK2 GASR Human Cholecystokinin A pKi 7.15 7.59 8.14 ChEMBL
μ OPRM Human Opioid A pKi 8.24 8.24 8.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pEC50 6.92 6.92 6.92 ChEMBL