Synonyms: | |
Status: | Approved (2015) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | NGO10K751P |
InChI Key | QQHMKNYGKVVGCZ-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C9H11ClN4O2 |
Molecular Weight | 242.67 |
AlogP | 1.11 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 93.33 |
Molecular species | BASE |
Aromatic Rings | 1.0 |
Heavy Atoms | 16.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Transferase
|
- | - | - | 35 | - | |
Enzyme
|
- | 20-35 | - | 1-20 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
Cholangiocarcinoma | 2 | D018281 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 90879 |
ChEMBL | CHEMBL235668 |
DrugBank | DB09343 |
DrugCentral | 4893 |
FDA SRS | NGO10K751P |
Guide to Pharmacology | 8696 |
PubChem | 6323266 |
SureChEMBL | SCHEMBL1682960 |
ZINC | ZINC000100032379 |