CHEMBL5172738


SMILES C#CCCCCN1C(=O)C2=C(SC[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CS2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC3=O)C1=O
InChIKey HRTHPANNFOMYJE-LPRGXNBOSA-N

Chemical properties

Hydrogen bond acceptors 26
Hydrogen bond donors 32
Rotatable bonds 37
Molecular weight (Da) 2229.0

Drug properties

Molecular type Small molecule
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 8.75 8.75 8.75 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.78 7.78 7.78 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 10.09 10.09 10.09 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 7.63 7.63 7.63 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 9.8 9.8 9.8 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.66 8.66 8.66 ChEMBL