Compound Detail
CHEMBL3735231
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Basic Information
| ChEMBL ID | CHEMBL3735231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCYJZHFDACGFQX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.52
ALogP
6
HBA
3
HBD
82.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.61 | 5.61 | 2450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells usin... | 25914804 |
| CDK9/cyclin T1 | IC50 | = | 2450.0 | nM | 5.61 | Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-ami... | 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