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Compound Detail

CHEMBL378803

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O=C(O)c1ccc(OCCc2c(-c3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378803
Phase Preclinical
Structure Type MOL
InChI Key KDQLOOWPDFTGOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

558.1
MW (Da)
8.92
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H28ClNO3
MW 558.08
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
16392799 10.1021/jm0507882 Cytosolic phospholipase A2 1
16392799 10.1021/jm0507882 Unchecked 1

Data from ChEMBL 36 via Core Engine