Compound Detail
CHEMBL2312187
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Basic Information
| ChEMBL ID | CHEMBL2312187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEIHOULIOWEFLO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
2.21
ALogP
9
HBA
3
HBD
146.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | Ki | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | Ki | = | 0.2 | nM | 9.7 | Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by... | 23252711 |
| CDK9/cyclin T1 | Ki | = | 8.0 | nM | 8.1 | Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by d... | 23252711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23252711 | 10.1021/jm301495v | CDK9/cyclin T1 | 2 |
| 23252711 | 10.1021/jm301495v | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine