Compound Detail
CHEMBL5425849
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Basic Information
| ChEMBL ID | CHEMBL5425849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKCGAMRTHVAZHZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
379.6
MW (Da)
3.83
ALogP
7
HBA
1
HBD
68.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Cyclin-dependent kinase 7/ cyclin H CHEMBL2111288 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| U2932 CHEMBL4296507 | IC50 | 6.34 | 6.34 | 459.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of CDK9/cyclin T1 (unknown origin) | 37671907 |
| Unchecked | IC50 | = | 38.0 | nM | 7.42 | Inhibition of CDK2/Cyclin A (unknown origin) | 37671907 |
| Cyclin-dependent kinase 7/ cyclin H | IC50 | = | 62.0 | nM | 7.21 | Inhibition of CDK7/Cyclin H (unknown origin) | 37671907 |
| U2932 | IC50 | = | 459.0 | nM | 6.34 | Cytotoxicity against human U2932 cells assessed as inhibition of cell growth mea... | 37671907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37671907 | 10.1021/acs.jmedchem.3c00828 | U2932 | 5 |
| 37671907 | 10.1021/acs.jmedchem.3c00828 | Cyclin-dependent kinase 9 | 2 |
| 37671907 | 10.1021/acs.jmedchem.3c00828 | CDK9/cyclin T1 | 2 |
| 37671907 | 10.1021/acs.jmedchem.3c00828 | Cyclin-dependent kinase 7/ cyclin H | 1 |
| 37671907 | 10.1021/acs.jmedchem.3c00828 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine