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Compound Detail

CHEMBL5405727

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CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CC#N)c(=O)c2cc1F

Basic Information

ChEMBL ID CHEMBL5405727
Phase Preclinical
Structure Type MOL
InChI Key SNLAGZCLTPKYKJ-JLHYYAGUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
5.50
ALogP
6
HBA
1
HBD
74.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34FN5O
MW 475.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RecQ-like DNA helicase BLM
CHEMBL1293237
IC50 5.37 5.37 4300.0 1

Activity Data Samples

Top measurements by pChEMBL value

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