CHEMBL380635
SMILES | O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 |
InChIKey | KPAXZSMXFNRRAR-ROJLCIKYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 646.3 |
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 | 5.77 | 5.77 | 5.77 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.68 | 6.68 | 6.68 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.82 | 7.82 | 7.82 | ChEMBL |