Compound Detail

CHEMBL261368

AZURE C

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CNc1ccc2nc3ccc(N)cc3[s+]c2c1.[Cl-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL261368
Name	AZURE C
Phase	Preclinical
Structure Type	MOL
InChI Key	OBKVLZKRUVYQNQ-UHFFFAOYSA-M
Parent Compound	CHEMBL1182696
Active Moiety	CHEMBL1182696

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

242.3

MW (Da)

3.35

ALogP

HBA

HBD

50.9

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.05

EC50 1 meas. best 4.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.05	6.005	90.0	2
Unchecked CHEMBL612545	EC50	4.96	4.96	11000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	90.0	nM	7.05	Inhibition of synthetic amyloid beta-42 oligomerization by ELISA	17284452
Unchecked	EC50	=	11000.0	nM	4.96	Inhibition of His-tagged human recombinant Hsp70 (1 to 381 residues) expressed i...	37839344
Unchecked	IC50	=	11000.0	nM	4.96	Inhibition of human HSP70 ATPase activity at incubated for 3 hrs by malachite gr...	33139110

PubMed	DOI	Target Context	# Activities
17284452	10.1074/jbc.m608207200	Unchecked	4
19640715	10.1016/j.bmcl.2009.07.082	Unchecked	2
33139110	10.1016/j.ejmech.2020.112915	Unchecked	2
37839344	10.1016/j.ejmech.2023.115859	Unchecked	1

Data from ChEMBL 36 via Core Engine