Compound Detail
CHEMBL4597193
VALEMETOSTAT 🧪 Phase II
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🧪 Phase II
Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)O[C@@](C)([C@H]2CC[C@H](N(C)C)CC2)O3)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL4597193 |
| Name | VALEMETOSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SSDRNUPMYCFXGM-UYPAYLBCSA-N |
4
Targets
15
Activities
1
Assay Types
0
PK Parameters
20
Publications
1
Known Names
4
Indications
Molecular Properties
488.0
MW (Da)
4.49
ALogP
5
HBA
2
HBD
83.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Breast Neoplasms Carcinoma, Hepatocellular Lymphoma Lymphoma, Non-Hodgkin
Activity Summary
IC50 15 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH1 CHEMBL2189116 | IC50 | 9.36 | 8.145 | 0.4 | 4 |
| Unchecked CHEMBL612545 | IC50 | 9.36 | 8.68 | 0.4 | 3 |
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 8.87 | 8.3614 | 1.4 | 7 |
| HCT-116 CHEMBL394 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine