CHEMBL1354041
SMILES | COc1ccc(NC(=O)c2cnn3c(O)cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc23)cc1Cl |
InChIKey | QPSIJSJFRVOWKX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 501.2 |
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 |
GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 6.38 | 6.38 | 6.38 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pEC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
GPR35 | GPR35 | Human | A orphans | A | pIC50 | 4.53 | 4.53 | 4.53 | ChEMBL |