| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | CY3RNB3K4T |
Structure
| InChI Key | WDVSHHCDHLJJJR-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11N3 |
| Molecular Weight | 209.25 |
| AlogP | 2.55 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 64.93 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| DISRUPTING AGENT | DNA disrupting agent | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 90-95 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
| Barrett Esophagus | 2 | D001471 | ClinicalTrials |
| Uterine Neoplasms | 2 | D014594 | ClinicalTrials |
| Genital Neoplasms, Female | 0 | D005833 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 92-62-6 |
| ChEBI | 8452 |
| ChEMBL | CHEMBL55400 |
| DrugBank | DB01123 |
| DrugCentral | 2277 |
| EPA CompTox | DTXSID9043776 |
| FDA SRS | CY3RNB3K4T |
| Human Metabolome Database | HMDB0015255 |
| KEGG | C11181 |
| PDB | PRL |
| PharmGKB | PA164748742 |
| PubChem | 7099 |
| SureChEMBL | SCHEMBL27386 |
| ZINC | ZINC000003775644 |
CONTENTS