CHEMBL569694
SMILES | N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O |
InChIKey | PZZOHVGUHARWRP-CYXNTTPDSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 8 |
Rotatable bonds | 18 |
Molecular weight (Da) | 603.3 |
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 |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 4.93 | 4.93 | 4.93 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 6.03 | 6.03 | 6.03 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 4.36 | 4.36 | 4.36 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 4.82 | 4.82 | 4.82 | ChEMBL |