Compound Detail

CHEMBL2017359

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NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2017359
Phase	Preclinical
Structure Type	MOL
InChI Key	QBBDBUVPJDYPLQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

353.8

MW (Da)

4.95

ALogP

HBA

HBD

68.0

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase pim-1 CHEMBL2147	IC50	8.3	8.3	5.0	1
Serine/threonine-protein kinase pim-2 CHEMBL4523	IC50	7.92	7.92	12.0	1
Casein kinase II alpha/beta CHEMBL3038477	IC50	7.66	7.66	22.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase pim-1	IC50	=	5.0	nM	8.3	Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate and 30 uM AT...	22460033
Serine/threonine-protein kinase pim-2	IC50	=	12.0	nM	7.92	Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate and 5 uM ATP...	22460033
Casein kinase II alpha/beta	IC50	=	22.0	nM	7.66	Inhibition of human recombinant CK2 (alphaalpha-betabeta) holoenzyme using RRRDD...	22460033

PubMed	DOI	Target Context	# Activities
22460033	10.1016/j.bmcl.2012.02.099	Serine/threonine-protein kinase pim-1	1
22460033	10.1016/j.bmcl.2012.02.099	Serine/threonine-protein kinase pim-2	1
22460033	10.1016/j.bmcl.2012.02.099	Casein kinase II alpha/beta	1

Data from ChEMBL 36 via Core Engine