| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | B1E00KQ6NT |
| InChI Key | ZMELOYOKMZBMRB-DLBZAZTESA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C27H30ClFN4O3 |
| Molecular Weight | 513.01 |
| AlogP | 3.98 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 65.86 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 36.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
CMGC protein kinase group
CMGC protein kinase MAPK family
CMGC protein kinase p38 subfamily
|
- | 9-96 | 1 | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Myeloma | 2 | D009101 | ClinicalTrials |
| Arthritis, Rheumatoid | 2 | D001172 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEBI | 90683 |
| ChEMBL | CHEMBL514201 |
| DrugBank | DB05412 |
| FDA SRS | B1E00KQ6NT |
| Guide to Pharmacology | 7817 |
| PDB | 469 |
| PubChem | 9871074 |
| SureChEMBL | SCHEMBL4779242 |
| ZINC | ZINC000034001955 |