Compound Detail

CHEMBL66854

Enter ChEMBL ID:

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

Oc1cccc(/C=N/N=C/c2cccc(O)c2O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL66854
Phase	Preclinical
Structure Type	MOL
InChI Key	LRQXLWBMGFQQHO-BGPOSVGRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

272.3

MW (Da)

1.96

ALogP

HBA

HBD

105.6

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 4.61

IC50 2 meas. best 4.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 integrase CHEMBL3471	IC50	4.85	4.735	14000.0	2
Zinc finger protein mex-5 CHEMBL1293319	EC50	4.61	4.61	24614.0	1
RNA-binding protein pos-1 CHEMBL1293304	EC50	4.37	4.37	42851.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus type 1 integrase	IC50	=	14000.0	nM	4.85	Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer	10841789
Human immunodeficiency virus type 1 integrase	IC50	=	23900.0	nM	4.62	Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing	10841789
Zinc finger protein mex-5	EC50	=	24614.0	nM	4.61	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
RNA-binding protein pos-1	EC50	=	42851.0	nM	4.37	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-

PubMed	DOI	Target Context	# Activities
10841789	10.1021/jm990322h	Human immunodeficiency virus type 1 integrase	2

Data from ChEMBL 36 via Core Engine