Compound Detail
CHEMBL5900910
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Basic Information
| ChEMBL ID | CHEMBL5900910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEAPAIZOLSVRNZ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
5.18
ALogP
7
HBA
2
HBD
100.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.52 | 7.4975 | 3.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | CDK9/CycT1 Kinase Assay: For the assay 50 nl of a 100 fold concentrated solution... | - |
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | CDK9/CycT1 Kinase Assay: For the assay 50 nl of a 100 fold concentrated solution... | - |
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | CDK2/CycE Kinase Assay: For the assay 50 nl of a 100 fold concentrated solution ... | - |
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | CDK2/CycE Kinase Assay: For the assay 50 nl of a 100 fold concentrated solution ... | - |
Data from ChEMBL 36 via Core Engine