Compound Detail
CHEMBL5753496
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Basic Information
| ChEMBL ID | CHEMBL5753496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSNCIMRSYIDBOX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
3.81
ALogP
9
HBA
1
HBD
124.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.05 | 6.845 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | CDK9/CycT1 Kinase Assay: For the assay 50 nl of a 100 fold concentrated solution... | - |
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | CDK2/CycE Kinase Assay: For the assay 50 nl of a 100 fold concentrated solution ... | - |
Data from ChEMBL 36 via Core Engine