Compound Detail

CHEMBL1981657

Enter ChEMBL ID:

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

N/C(=N\N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)N[N+](=O)[O-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1981657
Phase	Preclinical
Structure Type	MOL
InChI Key	BZTOOBISHURJRM-UUASQNMZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

333.3

MW (Da)

0.78

ALogP

HBA

HBD

176.6

PSA (Å²)

0.27

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 5.81

EC50 2 meas. best 4.58

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.81	5.575	1551.0	2
Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229	IC50	5.55	5.55	2821.2	1
DNA (cytosine-5)-methyltransferase 1 CHEMBL1993	IC50	5.41	5.41	3940.0	1
Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361	IC50	5.41	5.41	3860.7	1
Aminopeptidase N CHEMBL4117	IC50	4.99	4.99	10250.0	1
RNA-editing ligase 1, mitochondrial CHEMBL4105928	IC50	4.67	4.67	21232.0	1
Zinc finger protein mex-5 CHEMBL1293319	EC50	4.58	4.58	26115.0	1
Bifunctional protein GlmU CHEMBL1293297	IC50	4.55	4.55	28410.0	1
RNA-binding protein pos-1 CHEMBL1293304	EC50	4.52	4.52	29930.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	1551.0	nM	5.81	PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ...	-
Nuclear receptor subfamily 4immunitygroup A member 1	IC50	=	2821.2	nM	5.55	PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe...	-
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	3860.69	nM	5.41	PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito...	-
DNA (cytosine-5)-methyltransferase 1	IC50	=	3940.0	nM	5.41	PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen...	-
Unchecked	IC50	=	4544.0	nM	5.34	PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio...	-
Aminopeptidase N	IC50	=	10250.0	nM	4.99	PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep...	-
RNA-editing ligase 1, mitochondrial	IC50	=	21232.0	nM	4.67	PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a...	-
Zinc finger protein mex-5	EC50	=	26115.0	nM	4.58	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Bifunctional protein GlmU	IC50	=	28410.0	nM	4.55	PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra...	-
RNA-binding protein pos-1	EC50	=	29930.0	nM	4.52	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-

Data from ChEMBL 36 via Core Engine