Compound Detail

CHEMBL280847

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Cn1cncc1C(NN1CCC(C#N)=C(c2cccc3ccccc23)C1)c1ccc(C#N)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL280847
Phase	Preclinical
Structure Type	MOL
InChI Key	DJYOAYPWIWACRH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

444.5

MW (Da)

4.72

ALogP

HBA

HBD

80.7

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 9.3

EC50 1 meas. best 9.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	9.3	9.3	0.5	1
Protein farnesyltransferase CHEMBL2096912	EC50	9.3	9.3	0.5	1
Geranylgeranyl transferase type I CHEMBL2095164	IC50	6.22	6.22	600.0	1

Parameter	Value	Units	Species
F	27.0	%	Canis lupus familiaris

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	EC50	=	0.5	nM	9.3	Inhibition of Ras farnesylation in Human Ha-Ras oncogene-transformed BALB/c 3T3 ...	12657283
Protein farnesyltransferase	IC50	=	0.5	nM	9.3	In vitro inhibition of farnesyltransferase	12657283
Geranylgeranyl transferase type I	IC50	=	600.0	nM	6.22	In vitro inhibition of geranylgeranyltransferase-1	12657283

PubMed	DOI	Target Context	# Activities
12657283	10.1016/s0960-894x(03)00094-5	Protein farnesyltransferase	2
12657283	10.1016/s0960-894x(03)00094-5	Geranylgeranyl transferase type I	1
12657283	10.1016/s0960-894x(03)00094-5	Canis familiaris	1

Data from ChEMBL 36 via Core Engine