Compound Detail

CHEMBL2237019

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COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2237019
Phase	Preclinical
Structure Type	MOL
InChI Key	MNESAXRIWTZNSF-CXUHLZMHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

314.4

MW (Da)

5.26

ALogP

HBA

HBD

26.3

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

PubMed	DOI	Target Context	# Activities
-	10.1007/s00044-012-9969-1	Mus musculus	6
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
31978780	10.1016/j.ejmech.2019.111981	Astrocyte	1
-	10.1007/s00044-012-9969-1	Rattus norvegicus	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
28582669	10.1016/j.ejmech.2017.05.026	Mycobacteroides abscessus	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