| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | MK2A783ZUT |
Structure
| InChI Key | VJXSSYDSOJBUAV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H19N5O2 |
| Molecular Weight | 325.37 |
| AlogP | 2.11 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 109.17 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Dihydrofolate reductase inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 1-15 | - | 0-38 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
| Urethral Neoplasms | 2 | D014523 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 72732-56-0 |
| ChEMBL | CHEMBL7492 |
| DrugBank | DB03695 |
| EPA CompTox | DTXSID20223032 |
| FDA SRS | MK2A783ZUT |
| Guide to Pharmacology | 7414 |
| PDB | MXA |
| PubChem | 54369 |
| SureChEMBL | SCHEMBL8124 |
| ZINC | ZINC000000000640 |
CONTENTS