| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | KL2Z2TLF01 |
| InChI Key | PDOQBOJDRPLBQU-QMMMGPOBSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H14ClFN8 |
| Molecular Weight | 348.77 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 104.3 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 24.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase JakA family
|
- | 1360 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase JakB family
|
- | 1360 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase Trk family
|
- | 3 | - | - | - | |
|
Transcription factor
|
- | 23-80 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Thrombocythemia, Essential | 1 | D013920 | ClinicalTrials |
| Primary Myelofibrosis | 1 | D055728 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
| Stomach Neoplasms | 1 | D013274 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1231124 |
| DrugBank | DB12588 |
| EPA CompTox | DTXSID50239469 |
| FDA SRS | KL2Z2TLF01 |
| Guide to Pharmacology | 5933 |
| PDB | AZ5 |
| PubChem | 16659841 |
| SureChEMBL | SCHEMBL3345019 |
| ZINC | ZINC000058631551 |