Compound Detail

CHEMBL70411

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Cc1c(C)c2c(c(C(CCCCCC(=O)O)c3ccc(F)cc3)c1O)CCC2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL70411
Phase	Preclinical
Structure Type	MOL
InChI Key	MIMHBCCQTTWMBE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

398.5

MW (Da)

5.44

ALogP

HBA

HBD

74.6

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cavia porcellus CHEMBL369	IC50	7.89	7.89	13.0	1
Unchecked CHEMBL612545	IC50	7.89	7.89	13.0	1
Oryctolagus cuniculus CHEMBL374	IC50	7.57	7.57	27.0	1
Homo sapiens CHEMBL372	IC50	7.11	7.11	78.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	13.0	nM	7.89	Inhibition of specific binding of [3H]U-46619 to TXA2/PGH2 receptor in guinea pi...	1535377
Cavia porcellus	IC50	=	13.0	nM	7.89	Compound was evaluated for inhibition of specific binding of [3H]U-46619 to guin...	1535377
Oryctolagus cuniculus	IC50	=	27.0	nM	7.57	Concentration required to reduced U-46619-induced contraction of the rabbit aort...	1535377
Homo sapiens	IC50	=	78.0	nM	7.11	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	Unchecked	1
1535377	10.1021/jm00090a009	Oryctolagus cuniculus	1
1535377	10.1021/jm00090a009	Homo sapiens	1

Data from ChEMBL 36 via Core Engine