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Compound Detail

CHEMBL250004

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O=C1c2ccc(O)cc2C(=O)N1c1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250004
Phase Preclinical
Structure Type MOL
InChI Key IVCPJWMGSLPSHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.1
MW (Da)
3.50
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7Cl2NO3
MW 308.12
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
17845850 10.1016/j.bmcl.2007.01.088 Unchecked 1

Data from ChEMBL 36 via Core Engine