Compound Detail

CHEMBL337834

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CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4c(c3)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C4)ccc2N1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL337834
Phase	Preclinical
Structure Type	MOL
InChI Key	QZVQSVZEEJEZSI-YXRKCGNLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

777.1

MW (Da)

5.93

ALogP

HBA

HBD

163.3

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 8 meas. best 9.48

Kd 5 meas. best 9.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein kinase C gamma type CHEMBL2938	Kd	9.8	9.8	0.2	1
Protein kinase C beta type CHEMBL3045	Kd	9.72	9.72	0.2	1
Protein kinase C alpha type CHEMBL299	Kd	9.55	9.55	0.3	1
Protein kinase C delta type CHEMBL2560	Ki	9.48	9.295	0.3	2
Protein kinase C epsilon type CHEMBL3582	Kd	9.43	9.43	0.4	1
Protein kinase C epsilon type CHEMBL3582	Ki	9.26	9.26	0.6	1
Protein kinase C alpha type CHEMBL299	Ki	9.03	9.03	0.9	1
Protein kinase C delta type CHEMBL2996	Kd	9.0	9.0	1.0	1
Protein kinase C beta type CHEMBL3045	Ki	8.85	8.85	1.4	1
Protein kinase C gamma type CHEMBL2938	Ki	8.82	8.82	1.5	1
Protein kinase C delta type CHEMBL2996	Ki	8.67	8.67	2.1	1
Protein kinase C alpha type CHEMBL2213	Ki	8.44	8.44	3.7	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein kinase C gamma type	Kd	=	0.16	nM	9.8	Binding affinity for human Protein kinase C gamma with [Ca2+]	12954072
Protein kinase C beta type	Kd	=	0.19	nM	9.72	Binding affinity for human PKC beta-1	12954072
Protein kinase C alpha type	Kd	=	0.28	nM	9.55	Binding affinity for human Protein kinase C alpha with [Ca2+]	12954072
Protein kinase C delta type	Ki	=	0.33	nM	9.48	Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec...	12954072
Protein kinase C epsilon type	Kd	=	0.37	nM	9.43	Binding affinity for human Protein kinase C epsilon	12954072
Protein kinase C epsilon type	Ki	=	0.55	nM	9.26	Inhibition of human Protein kinase C epsilon	12954072
Protein kinase C delta type	Ki	=	0.78	nM	9.11	Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec...	12954072
Protein kinase C alpha type	Ki	=	0.93	nM	9.03	Inhibition of human Protein kinase C alpha with [Ca2+]	12954072
Protein kinase C delta type	Kd	=	1.0	nM	9.0	Binding affinity for human Protein kinase C delta	12954072
Protein kinase C beta type	Ki	=	1.42	nM	8.85	Inhibition of human PKC beta-1	12954072
Protein kinase C gamma type	Ki	=	1.5	nM	8.82	Inhibition of human Protein kinase C gamma with [Ca2+]	12954072
Protein kinase C delta type	Ki	=	2.12	nM	8.67	Inhibition of human Protein kinase C delta	12954072
Protein kinase C alpha type	Ki	=	3.67	nM	8.44	Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec...	12954072

PubMed	DOI	Target Context	# Activities
12954072	10.1021/jm0302041	Protein kinase C delta type	4
12954072	10.1021/jm0302041	Protein kinase C alpha type	3
12954072	10.1021/jm0302041	Protein kinase C beta type	2
12954072	10.1021/jm0302041	Protein kinase C gamma type	2
12954072	10.1021/jm0302041	Protein kinase C epsilon type	2
12954072	10.1021/jm0302041	No relevant target	1

Data from ChEMBL 36 via Core Engine