Compound Detail

CHEMBL420002

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Cc1c(C)c(C=O)c(C)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL420002
Phase	Preclinical
Structure Type	MOL
InChI Key	ONLZZJQCIFFEMP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

386.5

MW (Da)

5.44

ALogP

HBA

HBD

74.6

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.36

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Thromboxane A2 receptor CHEMBL2069	IC50	8.36	8.36	4.4	1
Cavia porcellus CHEMBL369	IC50	8.36	8.36	4.4	1
Oryctolagus cuniculus CHEMBL374	IC50	8.0	8.0	10.0	1
Homo sapiens CHEMBL372	IC50	6.51	6.51	310.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Thromboxane A2 receptor	IC50	=	4.4	nM	8.36	Compound was evaluated for its ability to inhibit specific binding of [3H]U-4661...	1535377
Cavia porcellus	IC50	=	4.4	nM	8.36	Compound was evaluated for inhibition of specific binding of [3H]U-46619 to guin...	1535377
Oryctolagus cuniculus	IC50	=	10.0	nM	8.0	Concentration required to reduced U-46619-induced contraction of the rabbit aort...	1535377
Homo sapiens	IC50	=	310.0	nM	6.51	Concentration required to reduced U-46619-induced aggregation of human platelet ...	1535377

PubMed	DOI	Target Context	# Activities
1535377	10.1021/jm00090a009	Cavia porcellus	4
1535377	10.1021/jm00090a009	Rattus norvegicus	2
1535377	10.1021/jm00090a009	Thromboxane A2 receptor	1
1535377	10.1021/jm00090a009	Oryctolagus cuniculus	1
1535377	10.1021/jm00090a009	Homo sapiens	1

Data from ChEMBL 36 via Core Engine