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Compound Detail

CHEMBL5433068

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CCCCCn1c(/C=C/c2ccc(C(C)C)cc2)nc2cc(NCCCN(CC)CC)c(F)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5433068
Phase Preclinical
Structure Type MOL
InChI Key SRVMDUVJXYWWGY-SAPNQHFASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.7
MW (Da)
7.16
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H43FN4O
MW 506.71
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RecQ-like DNA helicase BLM
CHEMBL1293237
 IC50 5.43 5.43 3700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RecQ-like DNA helicase BLM IC50 = 3700.0 nM 5.43 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