Compound Detail

CHEMBL364792

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

N#Cc1ccc(Cn2cncc2COCc2ccc(C#N)cc2-c2ccc3c(c2)OCO3)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL364792
Phase	Preclinical
Structure Type	MOL
InChI Key	RRLPKUJYAGTYEF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

448.5

MW (Da)

4.79

ALogP

HBA

HBD

93.1

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 10.0

EC50 1 meas. best 8.78

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	10.0	10.0	0.1	1
Protein farnesyltransferase CHEMBL2096912	EC50	8.78	8.78	1.6	1
Geranylgeranyl transferase type I CHEMBL2095164	IC50	5.5	5.5	3200.0	1

Parameter	Value	Units	Species
F	11.3	%	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	0.1	nM	10.0	Inhibition of [3H]FPP incorporation into recombinant Ras CVIM by human Farnesylt...	15380198
Protein farnesyltransferase	EC50	=	1.65	nM	8.78	Reduced farnesylation in H-Ras NIH3T3 cells	15380198
Geranylgeranyl transferase type I	IC50	=	3200.0	nM	5.5	Inhibition of [3H]GGPP incorporation into C-terminus of K-Ras by human Geranylge...	15380198

PubMed	DOI	Target Context	# Activities
15380198	10.1016/j.bmcl.2004.07.083	Protein farnesyltransferase	2
15380198	10.1016/j.bmcl.2004.07.083	Geranylgeranyl transferase type I	1
15380198	10.1016/j.bmcl.2004.07.083	Protein farnesyl/geranylgeranyl transferase	1
15380198	10.1016/j.bmcl.2004.07.083	ADMET	1

Data from ChEMBL 36 via Core Engine