Compound Detail

CHEMBL2368089

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Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)n1.[Na+]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2368089
Phase	Preclinical
Structure Type	MOL
InChI Key	USDSHKXZMLJDKC-SMUJUYJDSA-M
Parent Compound	CHEMBL3040075
Active Moiety	CHEMBL3040075

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

387.4

MW (Da)

3.92

ALogP

HBA

HBD

90.7

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.11

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247	IC50	8.11	8.11	7.7	1
Rattus norvegicus CHEMBL376	IC50	8.05	7.6567	9.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
3-hydroxy-3-methylglutaryl-coenzyme A reductase	IC50	=	7.7	nM	8.11	Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.	1992149
Rattus norvegicus	IC50	=	9.0	nM	8.05	Compound was tested for its effect on the incorporation of [14C]- acetate into s...	1992149
Rattus norvegicus	IC50	=	17.0	nM	7.77	Incorporation of [14C]- acetate into sterols measured in rat testis.	1992149
Rattus norvegicus	IC50	=	71.0	nM	7.15	Incorporation of [14C]- acetate into sterols measured in rat liver.	1992149

PubMed	DOI	Target Context	# Activities
1992149	10.1021/jm00105a071	Rattus norvegicus	3
1992149	10.1021/jm00105a071	NON-PROTEIN TARGET	2
1992149	10.1021/jm00105a071	No relevant target	1
1992149	10.1021/jm00105a071	3-hydroxy-3-methylglutaryl-coenzyme A reductase	1

Data from ChEMBL 36 via Core Engine