Compound Detail

CHEMBL276808

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Nc1nc(O)c2[nH]c(SCc3ccc(Cl)cc3)nc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL276808
Phase	Preclinical
Structure Type	MOL
InChI Key	MVZVAYOBERRXEC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

307.8

MW (Da)

2.59

ALogP

HBA

HBD

100.7

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Kd 2 meas. best 5.91

Ki 1 meas. best 5.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase CHEMBL3559681	Kd	5.91	5.91	1240.0	1
Queuine tRNA-ribosyltransferase CHEMBL2987	Ki	5.57	5.57	2700.0	1
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase CHEMBL3217379	Kd	5.37	5.37	4300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase	Kd	=	1240.0	nM	5.91	Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ...	27094768
Queuine tRNA-ribosyltransferase	Ki	=	2700.0	nM	5.57	Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from...	12646024
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	Kd	=	4300.0	nM	5.37	Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia ...	27094768

PubMed	DOI	Target Context	# Activities
12646024	10.1021/jm0209937	Queuine tRNA-ribosyltransferase	1
27094768	10.1021/acs.jmedchem.6b00002	2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase	1
27094768	10.1021/acs.jmedchem.6b00002	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	1

Data from ChEMBL 36 via Core Engine