INTERMEDINE


SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)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]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C
InChIKey WHNFPRLDDSXQCL-UAZQEYIDSA-N

Chemical properties

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

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8INR 7F4D
Ligand site mutations MC4

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 8.82 8.82 8.82 ChEMBL
MC5 MC5R Human Melanocortin A pKi 6.82 6.82 6.82 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.34 7.34 7.34 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.59 7.34 8.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 5.83 9.03 9.66 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 6.5 9.2 10.4 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 5.92 8.91 9.66 ChEMBL
MC4 MC4R Mouse Melanocortin A pEC50 5.61 8.25 8.8 ChEMBL
MC1 MSHR Human Melanocortin A pEC50 8.74 9.54 10.04 ChEMBL
MC1 MSHR Human Melanocortin A pIC50 8.22 8.81 9.4 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 6.25 7.17 7.75 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 6.44 7.62 8.09 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 7.3 7.51 7.72 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.78 8.68 9.18 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 7.41 7.86 8.3 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.81 8.23 9.68 ChEMBL