Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | J05AX06 |
UNII: | 9H4570Q89D |
InChI Key | KQOXLKOJHVFTRN-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H18F3N3O3 |
Molecular Weight | 381.35 |
AlogP | 4.68 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 74.18 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 27.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | 1259 | - | - | - | |
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | 6310 | - | - | - | |
Enzyme
Protease
Cysteine protease
Cysteine protease PAC clan
Cysteine protease C3A subfamily
|
58 | - | - | - | - | |
Structural protein
|
4-490 | - | - | - | - | |
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group I
Nuclear hormone receptor subfamily 1 group I member 2
|
251 | - | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Sepsis | 2 | D018805 | ClinicalTrials |
Diabetes Mellitus, Type 1 | 2 | D003922 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 153168-05-9 |
ChEMBL | CHEMBL29609 |
DrugBank | DB05105 |
DrugCentral | 4690 |
EPA CompTox | DTXSID8057649 |
FDA SRS | 9H4570Q89D |
PDB | W11 |
PubChem | 1684 |
SureChEMBL | SCHEMBL49383 |
ZINC | ZINC000001537619 |