Compound Detail

CHEMBL2046626

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Nc1ncccc1C(=O)c1cccc(N2CCNCC2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2046626
Phase	Preclinical
Structure Type	MOL
InChI Key	GLHNMQILKIFCNS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

283.3

MW (Da)

0.70

ALogP

HBA

HBD

84.1

PSA (Å²)

0.81

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.5

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein kinase C theta type CHEMBL3920	Ki	7.5	7.5	32.0	2
Protein kinase C delta type CHEMBL2996	Ki	7.1	7.1	80.0	1
Protein kinase C alpha type CHEMBL299	Ki	6.38	6.38	418.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein kinase C theta type	Ki	=	32.0	nM	7.5	Inhibition of PKCtheta	22738630
Protein kinase C theta type	Ki	=	32.0	nM	7.5	Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQ...	23398373
Protein kinase C delta type	Ki	=	80.0	nM	7.1	Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate aft...	23398373
Protein kinase C alpha type	Ki	=	418.0	nM	6.38	Inhibition of PKC alpha (unknown origin) using RRRRRKGSFKRKA as substrate after ...	23398373

PubMed	DOI	Target Context	# Activities
22738630	10.1016/j.bmcl.2012.05.114	Protein kinase C theta type	1
23398373	10.1021/jm301465a	Protein kinase C alpha type	1
23398373	10.1021/jm301465a	Protein kinase C delta type	1
23398373	10.1021/jm301465a	Protein kinase C theta type	1

Data from ChEMBL 36 via Core Engine