Compound Detail

CHEMBL12988

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CCCCCCCCCCCCCC[C@H]1C(=O)O[C@@H](CO)[C@@H]1OC(C)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL12988
Phase	Preclinical
Structure Type	MOL
InChI Key	ZUKHVOLIPVGCHQ-HSALFYBXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

370.5

MW (Da)

4.54

ALogP

HBA

HBD

72.8

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 6.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein kinase C alpha type CHEMBL299	Ki	6.3	6.3	500.0	2
Protein kinase C, PKC; classical/novel CHEMBL2096620	Ki	6.22	6.22	600.0	1
Unchecked CHEMBL612545	Ki	6.22	6.22	600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein kinase C alpha type	Ki	=	500.0	nM	6.3	Binding affinity (Ki) towards Protein kinase C	8176711
Protein kinase C alpha type	Ki	=	500.0	nM	6.3	Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C...	-
Unchecked	Ki	=	600.0	nM	6.22	Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase-C...	-
Protein kinase C, PKC; classical/novel	Ki	=	600.0	nM	6.22	Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C	-

PubMed	DOI	Target Context	# Activities
-	10.1016/S0960-894X(00)80295-4	Unchecked	1
8176711	10.1021/jm00035a013	Protein kinase C alpha type	1
-	10.1016/S0960-894X(00)80296-6	Protein kinase C, PKC; classical/novel	1
-	10.1016/S0960-894X(00)80296-6	Protein kinase C alpha type	1

Data from ChEMBL 36 via Core Engine