CHEMBL204078
SMILES | C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 |
InChIKey | GUUMVPUVSBGKBI-RWIFEVTBSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 620.3 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 5.62 | 5.62 | 5.62 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.66 | 6.66 | 6.66 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.19 | 6.19 | 6.19 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 8.35 | 8.35 | 8.35 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 8.07 | 8.07 | 8.07 | ChEMBL |