Compound Detail

CHEMBL569683

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Nc1nnc(SCc2ccc(F)cc2)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL569683
Phase	Preclinical
Structure Type	MOL
InChI Key	KFODOZBFEBUCEF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

224.3

MW (Da)

1.82

ALogP

HBA

HBD

67.6

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 6.13

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.13	5.296	740.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	740.0	nM	6.13	Inhibition of Mycobacterium tuberculosis H37Rv MetAP1c in presence of 50 uM Co(2...	20038112
Unchecked	IC50	=	1300.0	nM	5.89	Inhibition of Mycobacterium tuberculosis H37Rv MetAP1c in presence of 50 uM Ni(2...	20038112
Unchecked	IC50	=	7000.0	nM	5.16	Inhibition of Burkholderia pseudomallei recombinant methionine aminopeptidase 1 ...	24376907
Unchecked	IC50	=	18000.0	nM	4.75	Inhibition of Mycobacterium tuberculosis H37Rv MetAP1c in presence of 50 uM Mn(2...	20038112
Unchecked	IC50	=	28000.0	nM	4.55	Inhibition of Rickettsia prowazekii str. Madrid E N-terminal His-tagged methioni...	28089350

PubMed	DOI	Target Context	# Activities
20038112	10.1021/jm901624n	Unchecked	6
28089350	10.1016/j.bmc.2016.11.013	NON-PROTEIN TARGET	2
24376907	10.1021/ml400034m	Burkholderia thailandensis	1
24376907	10.1021/ml400034m	Unchecked	1
28089350	10.1016/j.bmc.2016.11.013	Unchecked	1
28089350	10.1016/j.bmc.2016.11.013	Rattus norvegicus	1
29551481	10.1016/j.bmcl.2018.03.002	Unchecked	1

Data from ChEMBL 36 via Core Engine