| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | H19C446XXB |
Structure
| InChI Key | VHXNKPBCCMUMSW-FQEVSTJZSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H15N3O6 |
| Molecular Weight | 393.36 |
| AlogP | 1.99 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 124.56 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA topoisomerase I inhibitor | EMA |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 10200 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pancreatic Neoplasms | 3 | D010190 | ClinicalTrials |
| Endometrial Neoplasms | 2 | D016889 | ClinicalTrials |
| Melanoma | 2 | D008545 | ClinicalTrials |
| Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
| Central Nervous System Neoplasms | 2 | D016543 | ClinicalTrials |
| Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
| Peritoneal Neoplasms | 2 | D010534 | ClinicalTrials |
| Urethral Neoplasms | 2 | D014523 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
| Lung Neoplasms | 2 | D008175 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 91421-42-0 |
| ChEBI | 90225 |
| ChEMBL | CHEMBL77305 |
| DrugBank | DB06159 |
| DrugCentral | 2411 |
| EPA CompTox | DTXSID7046752 |
| FDA SRS | H19C446XXB |
| PubChem | 472335 |
| SureChEMBL | SCHEMBL8640 |
| ZINC | ZINC000003827362 |
CONTENTS