CHEMBL5081077


SMILES CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H]2CSSC[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]1CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
InChIKey VNKGTZHAAMHYKK-HBLZZUKZSA-N

Chemical properties

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

Drug properties

Molecular type Na
Physiological/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 8.31 8.31 8.31 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.83 6.83 6.83 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 9.09 9.09 9.09 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 5.82 5.82 5.82 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.62 7.62 7.62 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.31 7.14 7.98 ChEMBL