| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | L2U9GFD244 |
Structure
| InChI Key | OLCWFLWEHWLBTO-HSZRJFAPSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H23N5O2S2 |
| Molecular Weight | 489.63 |
| AlogP | 4.17 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 93.09 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 34.0 |
Pharmacology
| Primary Target | |
|---|---|
| farnesyltransferase, CAAX box, beta |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 1-8 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Leukemia, Promyelocytic, Acute | 1 | D015473 | ClinicalTrials |
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 1 | D015464 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Anemia, Refractory, with Excess of Blasts | 1 | D000754 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 1 | D054198 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 195987-41-8 |
| ChEBI | 167655 |
| ChEMBL | CHEMBL351706 |
| DrugBank | DB12234 |
| EPA CompTox | DTXSID20173260 |
| FDA SRS | L2U9GFD244 |
| Guide to Pharmacology | 8026 |
| PDB | BMV |
| PubChem | 448545 |
| SureChEMBL | SCHEMBL94663 |
| ZINC | ZINC000003925649 |
CONTENTS