CHEMBL569693
SMILES | N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC1=CN=CC1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |
InChIKey | JYATZOPCEQVXLS-TWHRXLCVSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 9 |
Rotatable bonds | 22 |
Molecular weight (Da) | 788.4 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 9.48 | 9.48 | 9.48 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 8.8 | 8.8 | 8.8 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 7.58 | 7.58 | 7.58 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 9.27 | 9.27 | 9.27 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 11.0 | 11.0 | 11.0 | ChEMBL |