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Compound Detail

CHEMBL233797

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O=C(c1ccc(CN2CCCCC2)cc1)N(CCc1ccccc1Cl)C1CCOC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233797
Phase Preclinical
Structure Type MOL
InChI Key JFFXOTJSGWCHKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.0
MW (Da)
4.80
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31ClN2O2
MW 426.99
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
17583500 10.1016/j.bmcl.2007.06.031 Membrane-bound transcription factor site-1 protease 1

Data from ChEMBL 36 via Core Engine