Compound Detail
CHEMBL5756411
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Basic Information
| ChEMBL ID | CHEMBL5756411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPGNJCQEZSESLQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.4
MW (Da)
4.74
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
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 | 7.7425 | 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 High ATP Kinase Assay: Recombinant full-length His-tagged human CDK9 ... | - |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | CDK9/CycT1 kinase assay: Recombinant full-length His-tagged human CDK9 and CycT1... | - |
| Unchecked | IC50 | = | 52.0 | nM | 7.28 | CDK2/CycE Kinase Assay: Recombinant fusion proteins of GST and human CDK2 and of... | - |
| Unchecked | IC50 | = | 169.0 | nM | 6.77 | CDK2/CycE High ATP Kinase Assay: Recombinant fusion proteins of GST and human CD... | - |
Data from ChEMBL 36 via Core Engine