Synonyms: | |
Status: | Approved (2020) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | Q40W93WPE1 |
InChI Key | NSQSAUGJQHDYNO-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C34H44N4O4 |
Molecular Weight | 572.75 |
AlogP | 4.73 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 9.0 |
Polar Surface Area | 86.9 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 42.0 |
Primary Target | |
---|---|
enhancer of zeste 2 polycomb repressive complex 2 subunit |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Transferase
|
- | 4 | - | - | - | |
Epigenetic regulator
Writer
Protein methyltransferase
|
200 | 0-20 | - | 3 | - | |
Other nuclear protein
|
- | 4 | - | - | - | |
Transcription factor
|
- | 4 | - | - | - | |
Unclassified protein
|
- | 2-40 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Sarcoma | 3 | D012509 | ClinicalTrials |
Lymphoma, Follicular | 3 | D008224 | ClinicalTrials |
Lymphoma, Follicular | 3 | D008224 | ClinicalTrials |
Mesothelioma | 2 | D008654 | ClinicalTrials |
Urinary Bladder Neoplasms | 1 | D001749 | ClinicalTrials |
Urinary Bladder Neoplasms | 1 | D001749 | ClinicalTrials |
Carcinoma, Squamous Cell | 1 | D002294 | ClinicalTrials |
Lymphoma, Large B-Cell, Diffuse | 1 | D016403 | ClinicalTrials |
Lymphoma | 1 | D008223 | ClinicalTrials |
Prostatic Neoplasms | 1 | D011471 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 1403254-99-8 |
ChEMBL | CHEMBL3414621 |
DrugBank | DB12887 |
DrugCentral | 5380 |
FDA SRS | Q40W93WPE1 |
Guide to Pharmacology | 7011 |
PubChem | 66558664 |
SureChEMBL | SCHEMBL13276848 |
ZINC | ZINC000100285161 |