Compound Detail

CHEMBL440564

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N#Cc1ccc(Cn2cncc2Cn2ccc3c(C#N)c(-c4cccc5ccccc45)ccc32)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL440564
Phase	Preclinical
Structure Type	MOL
InChI Key	GGWAFGGYEHLURM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

463.5

MW (Da)

6.50

ALogP

HBA

HBD

70.3

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 9.82

EC50 1 meas. best 8.68

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2095178	IC50	9.82	9.82	0.1	1
Unchecked CHEMBL612545	IC50	9.82	9.82	0.2	1
Protein farnesyltransferase CHEMBL2096912	EC50	8.68	8.68	2.1	1
Geranylgeranyl transferase type I CHEMBL2096987	IC50	6.96	6.96	110.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	0.15	nM	9.82	Inhibition of bovine farnesyltransferase	15808463
Unchecked	IC50	=	0.1514	nM	9.82	Inhibition of FTase	19515462
Protein farnesyltransferase	EC50	=	2.1	nM	8.68	Inhibition of H-ras processing in transformed NIH3T3 cells	15808463
Geranylgeranyl transferase type I	IC50	=	110.0	nM	6.96	Inhibition of bovine geranylgeranyl transferase	15808463

PubMed	DOI	Target Context	# Activities
15808463	10.1016/j.bmcl.2005.02.062	Protein farnesyltransferase	2
15808463	10.1016/j.bmcl.2005.02.062	Geranylgeranyl transferase type I	1
19515462	10.1016/j.ejmech.2009.04.045	Unchecked	1

Data from ChEMBL 36 via Core Engine