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Compound Detail

CHEMBL326558

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O=C(O)CCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326558
Phase Preclinical
Structure Type MOL
InChI Key OCRWBQGXKVYGMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
5.92
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21NO4
MW 399.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
1404230 10.1021/jm00097a006 Unchecked 1
7504734 10.1021/jm00076a018 Homo sapiens 1

Data from ChEMBL 36 via Core Engine