Compound Detail

CHEMBL382288

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Cn1cncc1C(O)(c1ccc(C#N)cc1)c1ccc2c(c1)n(-c1cccc(Cl)c1)c(=O)n2C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL382288
Phase	Preclinical
Structure Type	MOL
InChI Key	LEDPJHJPZLJOPR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

469.9

MW (Da)

3.87

ALogP

HBA

HBD

88.8

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.85

EC50 1 meas. best 7.74

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.85	8.85	1.4	2
Protein farnesyltransferase CHEMBL2096912	EC50	7.74	7.74	18.1	1
Geranylgeranyl transferase type I CHEMBL2096987	IC50	5.75	5.75	1800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	1.4	nM	8.85	Inhibition of bovine farnesyl transferase	15911281
Unchecked	IC50	=	1.4	nM	8.85	Inhibition of FTase	17236767
Protein farnesyltransferase	EC50	=	18.1	nM	7.74	Inhibition of Ras processing in H-ras transformed NIH3T3 cells	15911281
Geranylgeranyl transferase type I	IC50	=	1800.0	nM	5.75	Inhibition of bovine geranylgeranyl transferase type I	15911281

PubMed	DOI	Target Context	# Activities
15911281	10.1016/j.bmcl.2005.03.049	Unchecked	1
15911281	10.1016/j.bmcl.2005.03.049	Geranylgeranyl transferase type I	1
15911281	10.1016/j.bmcl.2005.03.049	Protein farnesyltransferase	1
17236767	10.1016/j.bmcl.2006.12.087	Unchecked	1

Data from ChEMBL 36 via Core Engine