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Compound Detail

CHEMBL117499

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O=C(O)CCCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117499
Phase Preclinical
Structure Type MOL
InChI Key QQCOPENJHMALCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
6.31
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23NO4
MW 413.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
1404230 10.1021/jm00097a006 Unchecked 1

Data from ChEMBL 36 via Core Engine