Compound Detail

CHEMBL277069

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NC[C@H]1O[C@@H](O[C@@H](CO)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL277069
Phase	Preclinical
Structure Type	MOL
InChI Key	CSZXHEFWJRKHDV-SJKWGPLLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

405.4

MW (Da)

-5.06

ALogP

HBA

HBD

209.7

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phospho-N-acetylmuramoyl-pentapeptide-transferase CHEMBL3559642	IC50	5.3	5.3	5000.0	1
Unchecked CHEMBL612545	IC50	5.3	5.3	5000.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	5000.0	nM	5.3	Inhibitory activity against Translocase I	11934590
Unchecked	IC50	=	5000.0	nM	5.3	Inhibitory activity against translocase (Mra Y) obtained from bacteria.	11229764
Phospho-N-acetylmuramoyl-pentapeptide-transferase	IC50	=	5000.0	nM	5.3	Inhibition of MraY in Escherichia coli	30933853
Unchecked	IC50	=	5000.0	nM	5.3	Inhibition of Bacterial MraY	27607900

PubMed	DOI	Target Context	# Activities
11934590	10.1016/s0960-894x(02)00109-9	Unchecked	1
11229764	10.1016/s0960-894x(00)00714-9	Unchecked	1
10969981	10.1016/s0960-894x(00)00349-8	Unchecked	1
30933853	10.1016/j.ejmech.2019.01.071	Phospho-N-acetylmuramoyl-pentapeptide-transferase	1
27607900	10.1021/acs.jmedchem.6b00325	Unchecked	1

Data from ChEMBL 36 via Core Engine