CHEMBL3799955


SMILES CC(=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]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=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]c2ccccc12)C(N)=O
InChIKey KJUUQMJYKGOSKZ-VAMAGGONSA-N

Chemical properties

Hydrogen bond acceptors 25
Hydrogen bond donors 23
Rotatable bonds 72
Molecular weight (Da) 1948.0

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
MC5 MC5R Mouse Melanocortin A pEC50 8.4 8.4 8.4 ChEMBL
MC1 MSHR Mouse Melanocortin A pIC50 6.88 6.88 6.88 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 7.9 7.9 7.9 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 4.99 4.99 4.99 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 7.64 7.64 7.64 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 7.27 7.27 7.27 ChEMBL
MC4 MC4R Mouse Melanocortin A pEC50 8.14 8.14 8.14 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.55 7.73 8.92 ChEMBL