| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | U27F40013Q |
Structure
| InChI Key | XXYGTCZJJLTAGH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H20N6O |
| Molecular Weight | 396.45 |
| AlogP | 3.79 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 93.55 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Probable protein-cysteine N-palmitoyltransferase porcupine inhibitor | PubMed PubMed ClinicalTrials |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 0-1 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 78030 |
| ChEMBL | CHEMBL3188386 |
| DrugBank | DB12561 |
| FDA SRS | U27F40013Q |
| Guide to Pharmacology | 11167 |
| PubChem | 46926973 |
| SureChEMBL | SCHEMBL1723611 |
| ZINC | ZINC000095930187 |
CONTENTS