Compound Detail

CHEMBL2001481

Enter ChEMBL ID:

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

CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2001481
Phase	Preclinical
Structure Type	MOL
InChI Key	FPBAVBNDEYMNGH-XDHOZWIPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

307.4

MW (Da)

3.86

ALogP

HBA

HBD

61.9

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 7 meas. best 5.43

IC50 2 meas. best 5.01

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Troponin, cardiac muscle CHEMBL2095202	EC50	5.43	5.43	3708.0	1
Zinc finger protein mex-5 CHEMBL1293319	EC50	5.28	5.28	5218.0	1
RNA-binding protein pos-1 CHEMBL1293304	EC50	5.24	5.24	5697.0	1
Unchecked CHEMBL612545	EC50	5.17	5.17	6838.0	1
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546	EC50	5.1	5.1	7960.0	1
14-3-3 protein gamma CHEMBL1293296	IC50	5.01	5.01	9678.7	1
Heat shock protein HSP90 CHEMBL2095165	IC50	4.56	4.56	27302.0	1
Endoribonuclease toxin MazF CHEMBL1795096	EC50	4.33	4.29	46700.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Troponin, cardiac muscle	EC50	=	3708.0	nM	5.43	PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a...	-
Zinc finger protein mex-5	EC50	=	5218.0	nM	5.28	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
RNA-binding protein pos-1	EC50	=	5697.0	nM	5.24	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Unchecked	EC50	=	6838.0	nM	5.17	PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car...	-
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein	EC50	=	7960.0	nM	5.1	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ago...	-
14-3-3 protein gamma	IC50	=	9678.7	nM	5.01	PUBCHEM_BIOASSAY: 14-3-3 protein interaction modulators Dose Response Confirmati...	-
Heat shock protein HSP90	IC50	=	27302.0	nM	4.56	PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a...	-
Endoribonuclease toxin MazF	EC50	=	46700.0	nM	4.33	PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ...	-
Endoribonuclease toxin MazF	EC50	=	56600.0	nM	4.25	PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ...	-

Data from ChEMBL 36 via Core Engine