CHEMBL2372623


SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey TVINVHGLLFLSBP-KYFADEEDSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Human Cholecystokinin A pKi 7.82 7.82 7.82 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 6.7 6.7 6.7 ChEMBL
δ OPRD Human Opioid A pKi 9.04 9.04 9.04 ChEMBL
μ OPRM Rat Opioid A pKi 7.33 7.33 7.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Human Cholecystokinin A pIC50 7.8 7.8 7.8 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 6.6 6.62 6.64 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.7 6.7 6.7 ChEMBL
δ OPRD Human Opioid A pIC50 8.7 8.7 8.7 ChEMBL
δ OPRD Mouse Opioid A pIC50 8.6 8.6 8.6 ChEMBL
μ OPRM Rat Opioid A pIC50 7.0 7.0 7.0 ChEMBL