Compound Detail

CHEMBL224172

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Cc1ccc(/C=C2\SC(=S)NC2=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL224172
Phase	Preclinical
Structure Type	MOL
InChI Key	RAXPMQHOSGNELK-TWGQIWQCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

235.3

MW (Da)

2.48

ALogP

HBA

HBD

29.1

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 5.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.38	5.38	4200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	4200.0	nM	5.38	Antiviral activity against Chikungunya virus LR2006_OPY1 infected in african gre...	25462237

PubMed	DOI	Target Context	# Activities
22077389	10.1021/jm201243p	Unchecked	3
19059786	10.1016/j.bmc.2008.11.032	Arylamine N-acetyltransferase 1	1
33588179	10.1016/j.ejmech.2021.113266	Mycobacterium tuberculosis variant bovis BCG	1
33588179	10.1016/j.ejmech.2021.113266	Mycobacterium tuberculosis	1
25462237	10.1016/j.ejmech.2014.10.042	Vero	1
25462237	10.1016/j.ejmech.2014.10.042	NON-PROTEIN TARGET	1
22077389	10.1021/jm201243p	Prothrombin	1
19059786	10.1016/j.bmc.2008.11.032	Arylamine N-acetyltransferase	1
19059786	10.1016/j.bmc.2008.11.032	Unchecked	1
17049255	10.1016/j.bmc.2006.09.038	Candida albicans	1
17049255	10.1016/j.bmc.2006.09.038	Trichophyton benhamiae	1
17049255	10.1016/j.bmc.2006.09.038	Trichophyton rubrum	1
17049255	10.1016/j.bmc.2006.09.038	Nannizzia gypsea	1
17049255	10.1016/j.bmc.2006.09.038	Aspergillus flavus	1
17049255	10.1016/j.bmc.2006.09.038	Aspergillus fumigatus	1
17049255	10.1016/j.bmc.2006.09.038	Aspergillus niger	1
17049255	10.1016/j.bmc.2006.09.038	Cryptococcus neoformans	1
17049255	10.1016/j.bmc.2006.09.038	Saccharomyces cerevisiae	1

Data from ChEMBL 36 via Core Engine