CHEMBL3716921
SMILES | COc1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(Oc4ccccc4)c2)n3[C@@H](CCCNC(=N)N)C(N)=O)cc1 |
InChIKey | VYMPYDJQKTVXPX-LJAQVGFWSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 5 |
Rotatable bonds | 12 |
Molecular weight (Da) | 591.3 |
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 |
MRGPRX1 | MRGX1 | Human | A orphans | A | pEC50 | 6.1 | 6.1 | 6.1 | ChEMBL |