CHEMBL5185945


SMILES CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(c4c3CCC3C(CC4)C3COC(=O)NCCOCCOCCN)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
InChIKey YXIBEMYOGWJEQC-HSTSIONXSA-N

Chemical properties

Hydrogen bond acceptors 31
Hydrogen bond donors 34
Rotatable bonds 43
Molecular weight (Da) 2430.2

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
MC1 MSHR Human Melanocortin A pKi 10.24 10.24 10.24 ChEMBL
MC3 MC3R Human Melanocortin A pKi 8.29 8.29 8.29 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pIC50 7.07 7.07 7.07 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 9.97 9.97 9.97 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.95 8.95 8.95 ChEMBL