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Compound Detail

CHEMBL5410036

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CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CC3CC3)c(=O)c2cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5410036
Phase Preclinical
Structure Type MOL
InChI Key WDGDUAVIAGTDLP-NTCAYCPXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.7
MW (Da)
6.38
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39FN4O
MW 490.67
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RecQ-like DNA helicase BLM
CHEMBL1293237
 IC50 5.08 5.08 8300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RecQ-like DNA helicase BLM IC50 = 8300.0 nM 5.08 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