SHU9119


SMILES C(C=1C=2C(NC1)=CC=CC2)[C@@H]3NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC4=CC5=C(C=C4)C=CC=C5)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@@H](NC([C@H](CCCC)NC(C)=O)=O)CC(=O)NCCCC[C@@H](C(N)=O)NC3=O
InChIKey GGYWLZFXFKFWKL-XOJVSUSESA-N
Sequence CDHARWCK

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 14
Rotatable bonds 17
Molecular weight (Da) 1073.6

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Human Melanocortin A pKi 8.9 9.0 9.1 Guide to Pharmacology
MC4 MC4R Human Melanocortin A pKi 9.4 9.5 9.6 Guide to Pharmacology
MC3 MC3R Rat Melanocortin A pKi 9.1 9.1 9.1 Guide to Pharmacology
MC1 MSHR Human Melanocortin A pKd 9.2 9.2 9.2 Guide to Pharmacology
MC5 MC5R Human Melanocortin A pKd 9.0 9.0 9.0 Guide to Pharmacology
MC4 MC4R Mouse Melanocortin A pKd 9.1 9.73 10.7 ChEMBL
MC4 MC4R Mouse Melanocortin A pKi 9.1 9.2 9.3 ChEMBL
MC3 MC3R Human Melanocortin A pKi 9.89 9.89 9.89 ChEMBL
MC4 MC4R Human Melanocortin A pKi 10.54 10.54 10.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 8.62 8.63 8.64 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 8.85 9.05 9.19 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 7.08 7.57 8.07 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 7.42 7.95 8.48 ChEMBL
MC1 MSHR Human Melanocortin A pIC50 9.7 9.7 9.7 ChEMBL