| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 31ZXM8ZKQ3 |
Structure
| InChI Key | JNUGFGAVPBYSHF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H20ClN5O |
| Molecular Weight | 405.89 |
| AlogP | 3.31 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 65.16 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
6800 | 2-2000 | - | - | 98 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Lymphoma | 1 | D008223 | ClinicalTrials |
| Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL279433 |
| DrugBank | DB07227 |
| FDA SRS | 31ZXM8ZKQ3 |
| PDB | 778 |
| PubChem | 216453 |
| SureChEMBL | SCHEMBL1683541 |
| ZINC | ZINC000053070632 |
| ChEMBL | CHEMBL4297396 |
| EPA CompTox | DTXSID60180034 |
| FDA SRS | 2A2059P49U |
| PubChem | 216453 |
| SureChEMBL | SCHEMBL7195543 |
CONTENTS