CHEMBL4068654
SMILES | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |
InChIKey | SFGAMHAXMGIWOF-IQBDGJDESA-N |
Chemical properties
Hydrogen bond acceptors | 18 |
Hydrogen bond donors | 21 |
Rotatable bonds | 44 |
Molecular weight (Da) | 1528.7 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 7.44 | 7.44 | 7.44 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.28 | 6.28 | 6.28 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 6.93 | 6.93 | 6.93 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.44 | 6.44 | 6.44 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.89 | 6.89 | 6.89 | ChEMBL |