Compound Detail
CHEMBL3922737
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Basic Information
| ChEMBL ID | CHEMBL3922737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNNOAGXHCAVQKZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.34
ALogP
8
HBA
3
HBD
117.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of HDAC in human HeLa nuclear extract using Fluor de Lys as substrate... | - |
| CDK6/cyclin D3 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of N-terminal His6-tagged full length human CDK6/N-terminal GST-tagge... | - |
Data from ChEMBL 36 via Core Engine