Compound Detail

CHEMBL3601757

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O=C1NC(=S)NC(=O)C1=CNc1ccccc1C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3601757
Phase	Preclinical
Structure Type	MOL
InChI Key	UNMBLQZTAKRNCQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

291.3

MW (Da)

0.21

ALogP

HBA

HBD

107.5

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 4.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Urease CHEMBL4161	IC50	4.89	4.89	12960.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Urease	IC50	=	12960.0	nM	4.89	Inhibition of jack bean Urease assessed as ammonia production after 15 mins by i...	26081763

PubMed	DOI	Target Context	# Activities
29223098	10.1016/j.ejmech.2017.11.070	No relevant target	2
26081763	10.1016/j.bmc.2015.05.038	Urease	1
29223098	10.1016/j.ejmech.2017.11.070	Acinetobacter baumannii	1
29223098	10.1016/j.ejmech.2017.11.070	Salmonella typhimurium	1
29223098	10.1016/j.ejmech.2017.11.070	Pseudomonas aeruginosa	1
29223098	10.1016/j.ejmech.2017.11.070	Klebsiella pneumoniae	1
29223098	10.1016/j.ejmech.2017.11.070	Escherichia coli	1
29223098	10.1016/j.ejmech.2017.11.070	Staphylococcus aureus	1
29223098	10.1016/j.ejmech.2017.11.070	Bacillus cereus	1
29223098	10.1016/j.ejmech.2017.11.070	NHDF	1
29223098	10.1016/j.ejmech.2017.11.070	MCF7	1
29223098	10.1016/j.ejmech.2017.11.070	Xanthine dehydrogenase/oxidase	1

Data from ChEMBL 36 via Core Engine