Compound Detail

CHEMBL24983

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O=c1oc(Cl)c(Cl)c2ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL24983
Phase	Preclinical
Structure Type	MOL
InChI Key	SUGXUUGGLDCZKB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

215.0

MW (Da)

3.10

ALogP

HBA

HBD

30.2

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C9H4Cl2O2
MW	215.03
Aromatic Rings	2
Heavy Atoms	13
NP-Likeness	-0.17

Activity Summary

IC50 14 meas. best 7.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neutrophil elastase CHEMBL248	IC50	7.0	6.26	100.0	2
Unchecked CHEMBL612545	IC50	6.3	5.83	500.0	3
Lysosomal protective protein CHEMBL6115	IC50	6.22	6.22	600.0	1
Chymotrypsin-like elastase family member 2A CHEMBL3888	IC50	6.16	6.16	700.0	1
Chymotrypsin-like elastase family member 2A CHEMBL2407	IC50	6.1	6.1	800.0	1
Chymotrypsinogen A CHEMBL3314	IC50	5.46	5.46	3500.0	1
Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180	IC50	5.42	5.42	3830.0	1
Toxoplasma gondii CHEMBL612888	IC50	4.9	4.9	12500.0	1
Plasmodium falciparum CHEMBL364	IC50	4.8	4.8	15848.9	1
Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194	IC50	4.7	4.7	20100.0	1
Cathepsin G CHEMBL4071	IC50	4.03	4.03	93000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neutrophil elastase	IC50	=	100.0	nM	7.0	The compound was evaluated in vitro for the inhibition of human leukocyte elasta...	-
Unchecked	IC50	=	500.0	nM	6.3	Inhibition of purified prodrug hydrolase using [14C]GS-7340 substrate	17145787
Lysosomal protective protein	IC50	=	600.0	nM	6.22	Inhibition of recombinant CatA using [14C]GS-7340 substrate	17145787
Chymotrypsin-like elastase family member 2A	IC50	=	700.0	nM	6.16	The compound was evaluated in vitro for the inhibition of rat leukocyte elastase...	-
Chymotrypsin-like elastase family member 2A	IC50	=	800.0	nM	6.1	The compound was evaluated in vitro for the inhibition of pancreatitic porcine e...	-
Unchecked	IC50	=	1300.0	nM	5.89	Inhibition of human elastase	18588282
Neutrophil elastase	IC50	=	3000.0	nM	5.52	Inhibition of human leukocyte elastase using [14C]GS7340 substrate	17145787
Chymotrypsinogen A	IC50	=	3500.0	nM	5.46	Inhibition of bovine pancreas alpha-chymotrypsin using KSp21 as substrate preinc...	29463448
Mitochondrial import inner membrane translocase subunit TIM23	IC50	=	3830.0	nM	5.42	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Unchecked	IC50	=	5000.0	nM	5.3	Inhibition of crude human PBMC extract prodrug hydrolase using [14C]GS-7340 subs...	17145787
Toxoplasma gondii	IC50	=	12500.0	nM	4.9	Inhibition of Toxoplasma gondii 2F1 invasion in HFF cells by red/green invasion ...	17145790
Plasmodium falciparum	IC50	=	15848.93	nM	4.8	Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr...	19734910
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	20100.0	nM	4.7	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Cathepsin G	IC50	=	93000.0	nM	4.03	Inhibition of human cathepsin G	18588282

Literature References

PubMed	DOI	Target Context	# Activities
8176707	10.1021/jm00035a009	Prothrombin	2
17145790	10.1128/aac.01059-06	Toxoplasma gondii	2
17145787	10.1128/aac.00968-06	Unchecked	2
-	10.1016/S0960-894X(01)80714-9	Chymotrypsin-like elastase family member 2A	2
17145787	10.1128/aac.00968-06	Liver carboxylesterase	1
34311087	10.1016/j.bmcl.2021.128290	Rhomboid protease GlpG	1
34311087	10.1016/j.bmcl.2021.128290	Presenilin-associated rhomboid-like protein, mitochondrial	1
29506958	10.1016/j.bmcl.2017.12.056	Unchecked	1
29463448	10.1016/j.bmcl.2018.02.017	Unchecked	1
29463448	10.1016/j.bmcl.2018.02.017	Neutrophil elastase	1
29463448	10.1016/j.bmcl.2018.02.017	Chymotrypsinogen A	1
19734910	10.1038/nchembio.215	Plasmodium falciparum	1
17417631	10.1038/nchembio873	Unchecked	1
18588282	10.1021/jm701575k	Cathepsin G	1
18588282	10.1021/jm701575k	Unchecked	1
17145787	10.1128/aac.00968-06	Neutrophil elastase	1
17145787	10.1128/aac.00968-06	Lysosomal protective protein	1
8176707	10.1021/jm00035a009	Coagulation factor IX	1
8176707	10.1021/jm00035a009	Coagulation factor VII	1
8176707	10.1021/jm00035a009	Coagulation factor XII	1

Data from ChEMBL 36 via Core Engine