Compound Detail
CHEMBL4214475
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Basic Information
| ChEMBL ID | CHEMBL4214475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRRMXZJHBNJKLR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.68
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Cyclin A2 | IC50 | = | 820.0 | nM | 6.09 | Inhibition of recombinant human CDK2/cyclin A using Ulight-CFFKNIVTPRTPPPSQGK-am... | 29550093 |
| CDK9/cyclin T1 | IC50 | = | 2400.0 | nM | 5.62 | 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