Compound Detail

CHEMBL102293

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CCC1(c2cccc(Oc3cc(C(C)(N)c4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL102293
Phase	Preclinical
Structure Type	MOL
InChI Key	MHNMEERHZSPWFL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

471.6

MW (Da)

4.60

ALogP

HBA

HBD

97.2

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 9.42

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	9.42	9.42	0.4	2
Geranylgeranyl transferase type I CHEMBL2095164	IC50	8.29	8.29	5.1	1
Unchecked CHEMBL612545	IC50	8.29	8.29	5.1	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	0.38	nM	9.42	Concentration required to inhibit recombinant human farnesyltransferase (FTase) ...	12825937
Protein farnesyltransferase	IC50	=	0.38	nM	9.42	Inhibition of FPTase (unknown origin)	-
Geranylgeranyl transferase type I	IC50	=	5.1	nM	8.29	Concentration required to inhibit recombinant human geranylgeranyl transferase t...	12825937
Unchecked	IC50	=	5.1	nM	8.29	Inhibition of GGPTase-1 (unknown origin)	-

PubMed	DOI	Target Context	# Activities
12825937	10.1021/jm020587n	Protein farnesyltransferase	1
12825937	10.1021/jm020587n	Geranylgeranyl transferase type I	1
-	10.1039/C2MD20199B	Protein farnesyltransferase	1
-	10.1039/C2MD20199B	Unchecked	1

Data from ChEMBL 36 via Core Engine