Compound Detail

CHEMBL292495

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O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CO)CCn1cc2c2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL292495
Phase	Preclinical
Structure Type	MOL
InChI Key	BGVKOUSMQGMSDY-INIZCTEOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

441.5

MW (Da)

2.94

ALogP

HBA

HBD

85.5

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 12 meas. best 7.55

EC50 1 meas. best 5.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein kinase C beta type CHEMBL3045	IC50	7.55	7.3967	28.0	3
Protein kinase C eta type CHEMBL3616	IC50	6.52	6.52	300.0	1
Protein kinase C (PKC) CHEMBL2094266	IC50	6.26	6.23	550.0	2
Protein kinase C delta type CHEMBL2996	IC50	6.16	6.16	690.0	1
Protein kinase C alpha type CHEMBL299	IC50	6.14	6.14	720.0	1
Protein kinase C gamma type CHEMBL2938	IC50	5.7	5.7	2000.0	1
Molecular identity unknown CHEMBL612546	EC50	5.52	5.52	3000.0	1
Unchecked CHEMBL612545	IC50	5.22	5.22	6000.0	1
Protein kinase C zeta type CHEMBL3438	IC50	5.06	5.06	8700.0	1
Protein kinase C epsilon type CHEMBL3582	IC50	4.1	4.1	79000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein kinase C beta type	IC50	=	28.0	nM	7.55	Inhibition of Protein kinase C beta 2	8709095
Protein kinase C beta type	IC50	=	32.0	nM	7.5	Inhibition of Protein kinase C beta 2	-
Protein kinase C beta type	IC50	=	73.0	nM	7.14	Inhibition of Protein kinase C beta 1	8709095
Protein kinase C eta type	IC50	=	300.0	nM	6.52	Inhibition of Protein kinase C eta	8709095
Protein kinase C (PKC)	IC50	=	550.0	nM	6.26	Inhibition of rat brain PKC	-
Protein kinase C (PKC)	IC50	=	630.0	nM	6.2	Inhibition of rat brain Protein kinase C	8709095
Protein kinase C delta type	IC50	=	690.0	nM	6.16	Inhibition of Protein kinase C delta	8709095
Protein kinase C alpha type	IC50	=	720.0	nM	6.14	Inhibition of Protein kinase C alpha	8709095
Protein kinase C gamma type	IC50	=	2000.0	nM	5.7	Inhibition of Protein kinase C gamma	8709095
Molecular identity unknown	EC50	=	3000.0	nM	5.52	Effective concentration for 50% inhibition of endothelial cell based plasminogen...	8709095
Unchecked	IC50	=	6000.0	nM	5.22	Inhibition of purified mammalian brain calcium [Ca(2+)]/Calmodulin dependent kin...	8709095
Protein kinase C zeta type	IC50	=	8700.0	nM	5.06	Inhibition of Protein kinase C zeta	8709095
Protein kinase C epsilon type	IC50	=	79000.0	nM	4.1	Inhibition of Protein kinase C epsilon	8709095

PubMed	DOI	Target Context	# Activities
8709095	10.1021/jm950588y	Unchecked	4
-	10.1016/0960-894X(95)00350-3	Unchecked	2
8709095	10.1021/jm950588y	Protein kinase C beta type	2
-	10.1016/0960-894X(95)00350-3	Protein kinase C beta type	1
-	10.1016/0960-894X(95)00350-3	Protein kinase C (PKC)	1
8709095	10.1021/jm950588y	Protein kinase C alpha type	1
8709095	10.1021/jm950588y	Protein kinase C gamma type	1
8709095	10.1021/jm950588y	Protein kinase C delta type	1
8709095	10.1021/jm950588y	Protein kinase C epsilon type	1
8709095	10.1021/jm950588y	Protein kinase C zeta type	1
8709095	10.1021/jm950588y	Protein kinase C eta type	1
8709095	10.1021/jm950588y	Proto-oncogene tyrosine-protein kinase Src	1
8709095	10.1021/jm950588y	Protein kinase C (PKC)	1
8709095	10.1021/jm950588y	Molecular identity unknown	1
8709095	10.1021/jm950588y	ADMET	1

Data from ChEMBL 36 via Core Engine