CHEMBL266647
SMILES | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 |
InChIKey | NICHJJOSEXYBED-AMGIVPHBSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 11 |
Molecular weight (Da) | 560.3 |
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 |
MC3 | MC3R | Mouse | Melanocortin | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
ghrelin | GHSR | Human | Ghrelin | A | pKi | 6.34 | 6.34 | 6.34 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
ghrelin | GHSR | Human | Ghrelin | A | pEC50 | 6.14 | 6.14 | 6.14 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.03 | 6.03 | 6.03 | ChEMBL |