Compound Detail
CHEMBL5401799
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Cc1cc(=O)oc2cc(O)cc(OCCCCN3CCC(C(=O)Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)CC3)c12
Basic Information
| ChEMBL ID | CHEMBL5401799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZNJGRPRQAHVJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
626.8
MW (Da)
6.35
ALogP
11
HBA
2
HBD
130.9
PSA (Ų)
0.11
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U2932 CHEMBL4296507 | IC50 | 6.85 | 6.85 | 142.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U2932 | IC50 | = | 142.0 | nM | 6.85 | 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