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Compound Detail

CHEMBL3115419

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Clc1ccc2nc3c(c(-c4ccccc4)c2c1)CCCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115419
Phase Preclinical
Structure Type MOL
InChI Key HBNZDGCXVZUAOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.8
MW (Da)
5.82
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.52
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 C20H18ClN
MW 307.82
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
24412719 10.1016/j.ejmech.2013.12.013 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL4888484 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine