Compound Detail
CHEMBL4203594
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Basic Information
| ChEMBL ID | CHEMBL4203594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSKBQZJTXZVLBM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.46
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of recombinant human CDK9/cyclin T1 using Ulight-CFFKNIVTPRTPPPSQGK-a... | 29550093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29550093 | 10.1016/j.bmcl.2018.02.054 | CDK9/cyclin T1 | 2 |
| 29550093 | 10.1016/j.bmcl.2018.02.054 | CDK2/Cyclin A2 | 2 |
Data from ChEMBL 36 via Core Engine