Compound Detail

CHEMBL1097359

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Cc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\O)C(=O)N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1097359
Phase	Preclinical
Structure Type	MOL
InChI Key	YDTDDDOJDBGGTI-NVVUQHMZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

291.3

MW (Da)

2.96

ALogP

HBA

HBD

73.7

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	7.55	7.55	28.0	1
MV4-11 CHEMBL613835	IC50	6.58	6.58	260.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.07	5.07	8560.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	IC50	=	28.0	nM	7.55	Inhibition of FLT3 by HTRF assay	20153646
MV4-11	IC50	=	260.0	nM	6.58	Antiproliferative activity against wild type FLT3 expressing human MV411 cells a...	20153646
NON-PROTEIN TARGET	IC50	=	8560.0	nM	5.07	Antiproliferative activity against human RS4:11 cells having FLT3-ITD mutation a...	20153646

PubMed	DOI	Target Context	# Activities
18824607	10.1128/aac.00903-08	ADMET	2
29122482	10.1016/j.bmcl.2017.10.069	HT-22	2
20153646	10.1016/j.bmcl.2010.01.039	Receptor-type tyrosine-protein kinase FLT3	1
20153646	10.1016/j.bmcl.2010.01.039	NON-PROTEIN TARGET	1
20153646	10.1016/j.bmcl.2010.01.039	MV4-11	1
18824607	10.1128/aac.00903-08	Toxoplasma gondii	1

Data from ChEMBL 36 via Core Engine