Synonyms: | |
Status: | Phase 1 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | W66XP666AM |
InChI Key | MRPGRAKIAJJGMM-OCCSQVGLSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C22H19ClF3NO5 |
Molecular Weight | 469.84 |
AlogP | 4.32 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 94.14 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 32.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Kinase
Protein Kinase
CMGC protein kinase group
CMGC protein kinase CDK family
CMGC protein kinase CDC2 subfamily
|
- | 25 | - | - | - | |
Enzyme
Kinase
Protein Kinase
CMGC protein kinase group
CMGC protein kinase CDK family
CMGC protein kinase CDK9 subfamily
|
- | 22 | - | - | - | |
Enzyme
Kinase
Protein Kinase
CMGC protein kinase group
|
- | 22 | - | - | - | |
Other cytosolic protein
|
- | 22 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Melanoma | 1 | D008545 | ClinicalTrials |
Leukemia, Lymphocytic, Chronic, B-Cell | 1 | D015451 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Hematologic Neoplasms | 1 | D019337 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 1000023-04-0 |
ChEMBL | CHEMBL3905910 |
DrugBank | DB15157 |
FDA SRS | W66XP666AM |
Guide to Pharmacology | 9923 |
PubChem | 67409219 |
SureChEMBL | SCHEMBL3108205 |