Compound Detail

CHEMBL3702566

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Cn1c(=O)c(Sc2ccc(F)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3702566
Phase	Preclinical
Structure Type	MOL
InChI Key	FJECSOOLAWUZAB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

417.5

MW (Da)

4.84

ALogP

HBA

HBD

75.6

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C22H16FN5OS
MW	417.47
Aromatic Rings	5
Heavy Atoms	30
NP-Likeness	-1.41

Activity Summary

IC50 12 meas. best 6.7

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase PLK2 CHEMBL5938	IC50	6.7	6.7	201.0	1
Serine/threonine-protein kinase WNK2 CHEMBL5639	IC50	5.55	5.55	2785.0	1
Ribosomal protein S6 kinase alpha-1 CHEMBL2553	IC50	5.37	5.37	4253.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	5.21	5.21	6148.0	2
Serine/threonine-protein kinase PLK1 CHEMBL3024	IC50	5.11	5.11	7818.0	1
Tyrosine-protein kinase Lck CHEMBL258	IC50	5.09	5.09	8062.0	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.05	5.05	8847.0	2
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	5.05	5.05	8998.0	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	IC50	5.0	5.0	9900.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase PLK2	IC50	=	201.0	nM	6.7	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Serine/threonine-protein kinase WNK2	IC50	=	2785.0	nM	5.55	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Ribosomal protein S6 kinase alpha-1	IC50	=	4253.0	nM	5.37	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Mast/stem cell growth factor receptor Kit	IC50	=	6148.0	nM	5.21	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Mast/stem cell growth factor receptor Kit	IC50	=	6148.0	nM	5.21	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Serine/threonine-protein kinase PLK1	IC50	=	7818.0	nM	5.11	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Tyrosine-protein kinase Lck	IC50	=	8062.0	nM	5.09	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Tyrosine-protein kinase Lck	IC50	=	8062.0	nM	5.09	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	8847.0	nM	5.05	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Fibroblast growth factor receptor 3	IC50	=	8998.0	nM	5.05	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	8847.0	nM	5.05	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-
Serine/threonine-protein kinase pim-3	IC50	=	9900.0	nM	5.0	Kinase Inhibition Assay: The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2...	-

Data from ChEMBL 36 via Core Engine