Compound Detail

CHEMBL2037193

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CC(=O)Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2037193
Phase	Preclinical
Structure Type	MOL
InChI Key	UEWGFLIZGFHVFE-ODLFYWEKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

358.4

MW (Da)

4.21

ALogP

HBA

HBD

86.0

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 6.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.0	5.8625	1000.0	4
ADMET CHEMBL612558	IC50	5.89	5.89	1300.0	1
NT-3 growth factor receptor CHEMBL5608	IC50	5.72	5.72	1900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	1000.0	nM	6.0	Antiproliferative activity against mouse BA/F3 cells expressing Tel-KDR	24900443
NON-PROTEIN TARGET	IC50	=	1200.0	nM	5.92	Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKC	24900443
ADMET	IC50	=	1300.0	nM	5.89	Antiproliferative activity against wild type mouse BA/F3 cells in presence of IL...	24900443
NON-PROTEIN TARGET	IC50	=	1300.0	nM	5.89	Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKB	24900443
NT-3 growth factor receptor	IC50	=	1900.0	nM	5.72	Inhibition of TRKC by HTRF assay	24900443
NON-PROTEIN TARGET	IC50	=	2300.0	nM	5.64	Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKA	24900443

PubMed	DOI	Target Context	# Activities
24900443	10.1021/ml200261d	NON-PROTEIN TARGET	4
24900443	10.1021/ml200261d	NT-3 growth factor receptor	1
24900443	10.1021/ml200261d	ADMET	1

Data from ChEMBL 36 via Core Engine