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Compound Detail

CHEMBL117657

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CC(C)(Oc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117657
Phase Preclinical
Structure Type MOL
InChI Key WDRQADMQYLOVBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
6.04
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 C27H25NO4
MW 427.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.34

Literature References

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

Data from ChEMBL 36 via Core Engine