Compound Detail
CHEMBL3735432
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Basic Information
| ChEMBL ID | CHEMBL3735432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHIUERHSMDLIPH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
3.63
ALogP
6
HBA
2
HBD
73.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 4.66 | 4.66 | 22100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 11300.0 | nM | 4.95 | Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-ami... | 25914804 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 22100.0 | nM | 4.66 | Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells usin... | 25914804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25914804 | 10.1039/c4md00412d | NON-PROTEIN TARGET | 2 |
| 25914804 | 10.1039/c4md00412d | A549 | 1 |
| 25914804 | 10.1039/c4md00412d | KB | 1 |
| 25914804 | 10.1039/c4md00412d | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 25914804 | 10.1039/c4md00412d | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine