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Compound Detail

CHEMBL193646

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c1ccc(CNCCNCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL193646
Phase Preclinical
Structure Type MOL
InChI Key JUHORIMYRDESRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.57
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2
MW 240.35
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
15837313 10.1016/j.bmcl.2005.03.004 Mycobacterium tuberculosis 1
18835177 10.1016/j.bmc.2008.09.030 Mycobacterium tuberculosis 1
24177358 10.1016/j.ejmech.2013.09.055 Huh-7 1
24177358 10.1016/j.ejmech.2013.09.055 Hepatitis C virus 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine