Compound Detail

CHEMBL4065888

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O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4065888
Phase	Preclinical
Structure Type	MOL
InChI Key	GPPYSBQTHIVULO-AWNIVKPZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

336.4

MW (Da)

4.48

ALogP

HBA

HBD

63.5

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

PubMed	DOI	Target Context	# Activities
31978780	10.1016/j.ejmech.2019.111981	Unchecked	3
28434763	10.1016/j.bmcl.2017.04.010	Unchecked	2
28582669	10.1016/j.ejmech.2017.05.026	Mycobacterium tuberculosis	2
28582669	10.1016/j.ejmech.2017.05.026	Mycobacteroides abscessus	1
31978780	10.1016/j.ejmech.2019.111981	Astrocyte	1
31978780	10.1016/j.ejmech.2019.111981	C6	1
31978780	10.1016/j.ejmech.2019.111981	U-251	1
28582669	10.1016/j.ejmech.2017.05.026	Mycobacterium tuberculosis variant bovis	1
28582669	10.1016/j.ejmech.2017.05.026	Mycobacterium kansasii	1
28582669	10.1016/j.ejmech.2017.05.026	Mycobacterium avium	1
28582669	10.1016/j.ejmech.2017.05.026	Mycobacterium marinum	1
28582669	10.1016/j.ejmech.2017.05.026	Mycobacteroides chelonae	1
28434763	10.1016/j.bmcl.2017.04.010	Leishmania infantum	1
28582669	10.1016/j.ejmech.2017.05.026	Unchecked	1
28582669	10.1016/j.ejmech.2017.05.026	Mycolicibacterium smegmatis	1
28582669	10.1016/j.ejmech.2017.05.026	Staphylococcus aureus	1
28582669	10.1016/j.ejmech.2017.05.026	Escherichia coli	1
28582669	10.1016/j.ejmech.2017.05.026	Candida albicans	1
28434763	10.1016/j.bmcl.2017.04.010	Vero	1
28434763	10.1016/j.bmcl.2017.04.010	THP-1	1

Data from ChEMBL 36 via Core Engine