Compound Detail
CHEMBL3919796
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Basic Information
| ChEMBL ID | CHEMBL3919796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEQKSXYLYYLTSY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.4
MW (Da)
5.02
ALogP
7
HBA
1
HBD
100.3
PSA (Ų)
0.47
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.7 | 8.55 | 2.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 2.0 | nM | 8.7 | CDK9/CycT1 : Recombinant full-length His-tagged human CDK9 and CycT1, expressed ... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 4.0 | nM | 8.4 | CDK9/CycT1 Kinase Assay: Recombinant full-length His-tagged human CDK9 and CycT1... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 120.0 | nM | 6.92 | CDK2/CycE Kinase Assay: Recombinant fusion proteins of GST and human CDK2 and of... | - |
Data from ChEMBL 36 via Core Engine