Compound Detail

CHEMBL473810

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3nccs3)n2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL473810
Phase	Preclinical
Structure Type	MOL
InChI Key	XVUFLIJSHAIGMS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

365.4

MW (Da)

3.06

ALogP

HBA

HBD

97.1

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.38	6.17	42.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	42.0	nM	7.38	Inhibition of Escherichia coli GyrB ATPase activity assessed as inorganic phosph...	19095445
Unchecked	IC50	=	11000.0	nM	4.96	Inhibition of Escherichia coli DNA topoisomerase 4 subunit B ParE assessed as in...	19095445

PubMed	DOI	Target Context	# Activities
19095445	10.1016/j.bmcl.2008.11.102	Staphylococcus aureus	5
19095445	10.1016/j.bmcl.2008.11.102	Unchecked	2
19095445	10.1016/j.bmcl.2008.11.102	Enterococcus faecalis	2
19095445	10.1016/j.bmcl.2008.11.102	Escherichia coli	2
19095445	10.1016/j.bmcl.2008.11.102	Streptococcus pyogenes	1
19095445	10.1016/j.bmcl.2008.11.102	Haemophilus influenzae	1
19095445	10.1016/j.bmcl.2008.11.102	Moraxella catarrhalis	1
19095445	10.1016/j.bmcl.2008.11.102	Pseudomonas aeruginosa	1
19095445	10.1016/j.bmcl.2008.11.102	Streptococcus pneumoniae	1
19095445	10.1016/j.bmcl.2008.11.102	HepG2	1

Data from ChEMBL 36 via Core Engine