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Compound Detail

CHEMBL3115423

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O=C1c2ccccc2-c2nc3ccc(Cl)cc3c(-c3ccccc3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115423
Phase Preclinical
Structure Type MOL
InChI Key HFQQELCJIHOZTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.8
MW (Da)
5.77
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H12ClNO
MW 341.80
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
24412719 10.1016/j.ejmech.2013.12.013 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine