Compound Detail
CHEMBL5182944
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Basic Information
| ChEMBL ID | CHEMBL5182944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCTBUXUNIXTCND-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
2.86
ALogP
8
HBA
1
HBD
92.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.51 | 6.51 | 306.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of CDK9/Cyclin T1 (unknown origin) preincubated for 10 mins followed ... | 35605362 |
| MV4-11 | IC50 | = | 306.0 | nM | 6.51 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 35605362 |
| MV4-11 | IC50 | = | 306.0 | nM | 6.51 | Cytotoxicity against human MV4-11 cells assessed as reduction in cell viability ... | 38564299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35605362 | 10.1016/j.ejmech.2022.114461 | CDK9/cyclin T1 | 1 |
| 35605362 | 10.1016/j.ejmech.2022.114461 | MV4-11 | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Cyclin-dependent kinase 9 | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine