Compound Detail
CHEMBL5394652
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C=C(C)Cn1c(/C=C/c2ccc(C(C)C)cc2)nc2cc(NCCCN(CC)CC)c(F)cc2c1=O
Basic Information
| ChEMBL ID | CHEMBL5394652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDCWPOLWNKACPY-NTCAYCPXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.7
MW (Da)
6.55
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM CHEMBL1293237 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of His-tagged BLM (unknown origin) expressed in Escherichia coli BL21... | 36459756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36459756 | 10.1016/j.ejmech.2022.114944 | RecQ-like DNA helicase BLM | 2 |
Data from ChEMBL 36 via Core Engine