| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 80K4H2RB8P |
Structure
| InChI Key | SOLIIYNRSAWTSQ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H16ClN3O2 |
| Molecular Weight | 389.84 |
| AlogP | 4.56 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 63.99 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Tubulin inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Structural protein
|
- | 250 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Breast Neoplasms | 1 | D001943 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 204205-90-3 |
| ChEMBL | CHEMBL49642 |
| DrugBank | DB06169 |
| EPA CompTox | DTXSID70174368 |
| FDA SRS | 80K4H2RB8P |
| PubChem | 2929 |
| SureChEMBL | SCHEMBL3165856 |
| ZINC | ZINC000037866151 |
CONTENTS