Compound Detail
CHEMBL5401446
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CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCCOc4ccc5c(-c6ccccc6)cc(=O)oc5c4)CC3)s2)o1
Basic Information
| ChEMBL ID | CHEMBL5401446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEGOCVMLNHVWCF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
658.9
MW (Da)
7.61
ALogP
10
HBA
1
HBD
110.7
PSA (Ų)
0.09
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U2932 CHEMBL4296507 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U2932 | IC50 | = | 320.0 | nM | 6.5 | 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 | Cyclin-dependent kinase 9 | 2 |
| 37671907 | 10.1021/acs.jmedchem.3c00828 | U2932 | 1 |
Data from ChEMBL 36 via Core Engine