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Compound Detail

CHEMBL3112618

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Clc1ccc2nc3c(c(-c4ccccc4)c2c1)-c1ccccc1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3112618
Phase Preclinical
Structure Type MOL
InChI Key DBYUGKLYZNVOAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
6.13
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.36
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 C22H14ClN
MW 327.81
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.36

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