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Compound Detail

CHEMBL5398979

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CCCn1c(/C=C/c2ccc(C(C)C)cc2)nc2cc(NCCCN(CC)CC)c(F)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5398979
Phase Preclinical
Structure Type MOL
InChI Key FHJDQTWMBPMFDE-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.7
MW (Da)
6.38
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39FN4O
MW 478.66
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.41

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