Compound Detail

CHEMBL511337

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NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL511337
Phase	Preclinical
Structure Type	MOL
InChI Key	QKAONCSNINNEGU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

296.3

MW (Da)

3.06

ALogP

HBA

HBD

83.8

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Kd 7 meas. best 7.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	7.52	7.52	30.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	7.38	7.38	42.0	1
Serine/threonine-protein kinase 17A CHEMBL4525	Kd	7.02	7.02	96.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Kd	6.96	6.96	111.0	1
Cyclin-G-associated kinase CHEMBL4355	Kd	6.43	6.43	367.0	1
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Kd	5.91	5.91	1230.0	1
Serine/threonine-protein kinase MARK1 CHEMBL5940	Kd	4.96	4.96	11000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	Kd	=	30.0	nM	7.52	Binding affinity to human FLT3	19035792
Platelet-derived growth factor receptor beta	Kd	=	42.0	nM	7.38	Binding affinity to human PDGFRB	19035792
Serine/threonine-protein kinase 17A	Kd	=	96.0	nM	7.02	Binding affinity to human DRAK1	19035792
Mast/stem cell growth factor receptor Kit	Kd	=	111.0	nM	6.96	Binding affinity to human KIT	19035792
Cyclin-G-associated kinase	Kd	=	367.0	nM	6.43	Binding affinity to human GAK	19035792
MAP kinase-interacting serine/threonine-protein kinase 2	Kd	=	1230.0	nM	5.91	Binding affinity to human MNK2	19035792
Serine/threonine-protein kinase MARK1	Kd	=	11000.0	nM	4.96	Binding affinity to human MARK1	19035792

PubMed	DOI	Target Context	# Activities
19035792	10.1021/jm8011036	Unchecked	8
19035792	10.1021/jm8011036	Serine/threonine-protein kinase MARK1	2
19035792	10.1021/jm8011036	Mitogen-activated protein kinase kinase kinase kinase 4	2
19035792	10.1021/jm8011036	Atypical kinase COQ8B, mitochondrial	2
19035792	10.1021/jm8011036	Ribosomal protein S6 kinase alpha-4	2
19035792	10.1021/jm8011036	LIM domain kinase 2	2
19035792	10.1021/jm8011036	Receptor-type tyrosine-protein kinase FLT3	2
19035792	10.1021/jm8011036	Platelet-derived growth factor receptor beta	2
19035792	10.1021/jm8011036	Mast/stem cell growth factor receptor Kit	2
19035792	10.1021/jm8011036	Cyclin-G-associated kinase	2
19035792	10.1021/jm8011036	Serine/threonine-protein kinase Nek7	2
19035792	10.1021/jm8011036	Serine/threonine-protein kinase 17A	2
19035792	10.1021/jm8011036	MAP kinase-interacting serine/threonine-protein kinase 2	2
19035792	10.1021/jm8011036	RAC-alpha serine/threonine-protein kinase	1
19035792	10.1021/jm8011036	RAC-beta serine/threonine-protein kinase	1
19035792	10.1021/jm8011036	RAC-gamma serine/threonine-protein kinase	1
19035792	10.1021/jm8011036	Protein kinase C alpha type	1
19035792	10.1021/jm8011036	Serine/threonine-protein kinase N2	1
19035792	10.1021/jm8011036	Ribosomal protein S6 kinase alpha-5	1
19035792	10.1021/jm8011036	Ribosomal protein S6 kinase alpha-1	1

Data from ChEMBL 36 via Core Engine