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 |