Compound Detail
CHEMBL5865819
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C[C@@](O)(C1C=C(Cl)C(Cl)=CC1)[C@H]1O[C@@H](n2ccc3/c(=N\O)nc[nH]c32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5865819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXYWLEVHJQGNLG-JVKLTQNRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.3
MW (Da)
1.29
ALogP
8
HBA
5
HBD
136.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PRMT5/MEP50 complex CHEMBL3137261 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PRMT5/MEP50 complex | IC50 | = | 0.2 | nM | 9.7 | Biochemical Assay: Compounds were solubilized, and 3-fold diluted in 100% DMSO. ... | - |
Data from ChEMBL 36 via Core Engine