| 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 |