Compound Detail

CHEMBL3634767

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Cn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3634767
Phase	Preclinical
Structure Type	MOL
InChI Key	PAKQZSJYQOIVOH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

374.4

MW (Da)

2.22

ALogP

HBA

HBD

87.5

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 10.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	10.89	10.89	0.0	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	10.7	10.7	0.0	1
Serine/threonine-protein kinase pim-2 CHEMBL4523	Ki	9.77	9.77	0.2	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase pim-3	Ki	=	0.013	nM	10.89	Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after...	26459208
Serine/threonine-protein kinase pim-1	Ki	=	0.02	nM	10.7	Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after...	26459208
Serine/threonine-protein kinase pim-2	Ki	=	0.17	nM	9.77	Inhibition of Pim2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after...	26459208

PubMed	DOI	Target Context	# Activities
26459208	10.1016/j.bmcl.2015.09.052	Serine/threonine-protein kinase pim-1	1
26459208	10.1016/j.bmcl.2015.09.052	Serine/threonine-protein kinase pim-2	1
26459208	10.1016/j.bmcl.2015.09.052	Serine/threonine-protein kinase pim-3	1

Data from ChEMBL 36 via Core Engine