| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | Y2SR66P7VM |
| InChI Key | HEAIZQNMNCHNFD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H17N5O2 |
| Molecular Weight | 383.41 |
| AlogP | 3.93 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 74.43 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 29.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | 4100-32000 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Met family
|
- | 9-46 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEBI | 90626 |
| ChEMBL | CHEMBL496102 |
| DrugBank | DB08079 |
| EPA CompTox | DTXSID70143039 |
| FDA SRS | Y2SR66P7VM |
| PDB | L5G |
| PubChem | 24864821 |
| SureChEMBL | SCHEMBL9910136 |
| ZINC | ZINC000034285235 |