Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | X40LKS49S3 |
InChI Key | GNMUEVRJHCWKTO-FQEVSTJZSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C25H22ClN5O2S | |
Molecular Weight | 492.0 | |
AlogP | 5.53 | |
Hydrogen Bond Acceptor | 7.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 4.0 | |
Polar Surface Area | 92.4 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 4.0 | |
Heavy Atoms | 34.0 |
Action | Mechanism of Action | Reference | |
---|---|---|---|
INHIBITOR | Bromodomain and extra-terminal motif (BET) inhibitor | PubMed |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Epigenetic regulator
Reader
Bromodomain
|
- | 9-197 | - | 6-12 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference | ||
---|---|---|---|---|---|
Glioblastoma | 2 | D005909 | ClinicalTrials | ||
Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials | ||
Carcinoma, Pancreatic Ductal | 1 | D021441 | ClinicalTrials | ||
Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials | ||
Breast Neoplasms | 1 | D001943 | ClinicalTrials | ||
Prostatic Neoplasms, Castration-Resistant | 1 | D064129 | ClinicalTrials | ||
Lymphoma, Large B-Cell, Diffuse | 1 | D016403 | ClinicalTrials |
Resources | Reference |
---|---|
ChEMBL | CHEMBL3581647 |
DrugBank | DB15189 |
FDA SRS | X40LKS49S3 |
Guide to Pharmacology | 8359 |
PDB | 6JE |
PubChem | 9936746 |
SureChEMBL | SCHEMBL2898131 |
ZINC | ZINC000003960759 |