Compound Detail

CHEMBL1945161

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CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCNCCOCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@H]2OC(=O)O[C@@]21C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1945161
Phase	Preclinical
Structure Type	MOL
InChI Key	YASVBMLGCLCLEF-IVEITYEHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1166.8

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C58H92ClN5O17
MW	1166.84

Activity Summary

IC50 3 meas. best 6.55

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.55	4.9767	280.0	3

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	280.0	nM	6.55	Inhibition of protein synthesis using Escherichia coli S30 extracts preincubated...	24900314
Unchecked	IC50	=	60000.0	nM	4.22	Inhibition of Escherichia coli topoisomerase 4-mediated relaxation of supercoile...	24900314
Unchecked	IC50	=	70000.0	nM	4.16	Inhibition of Escherichia coli DNA gyrase-mediated supercoiling of relaxed pBR32...	24900314

Literature References

PubMed	DOI	Target Context	# Activities
24900314	10.1021/ml100253p	Staphylococcus aureus	5
24900314	10.1021/ml100253p	Streptococcus pyogenes	4
24900314	10.1021/ml100253p	Streptococcus pneumoniae	3
24900314	10.1021/ml100253p	Unchecked	3
24900314	10.1021/ml100253p	Haemophilus influenzae	1
24900314	10.1021/ml100253p	Moraxella catarrhalis	1

Data from ChEMBL 36 via Core Engine