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Compound Detail

CHEMBL324286

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COc1ccc(OCC(=O)O)cc1/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324286
Phase Preclinical
Structure Type MOL
InChI Key ZCMCMTSNRPLPTE-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
5.65
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.39
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 C26H21NO5
MW 427.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.42

Literature References

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

Data from ChEMBL 36 via Core Engine