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 7F4D 8INR
Ligand site mutations MC4

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