| Synonyms: | |
| Status: | Approved (2015) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | NGO10K751P |
Structure
| InChI Key | QQHMKNYGKVVGCZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| 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 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | 35 | - | |
|
Enzyme
|
- | 20-35 | - | 1-20 | - |
Indications
| 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 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 90879 |
| ChEMBL | CHEMBL235668 |
| DrugBank | DB09343 |
| DrugCentral | 4893 |
| FDA SRS | NGO10K751P |
| Guide to Pharmacology | 8696 |
| PubChem | 6323266 |
| SureChEMBL | SCHEMBL1682960 |
| ZINC | ZINC000100032379 |
CONTENTS