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Compound Detail

CHEMBL157692

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COCC(=O)Nc1ccc(COC(c2ccc(C#N)cc2)c2cncn2C)c(-c2cccc(OC)c2)c1

Basic Information

ChEMBL ID CHEMBL157692
Phase Preclinical
Structure Type MOL
InChI Key FWKRIHUCKMGEAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
4.86
ALogP
7
HBA
1
HBD
98.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N4O4
MW 496.57
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 4.95 4.95 11220.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 11220.18 nM 4.95 Inhibition of FTase 16455255

Literature References

PubMed DOI Target Context # Activities
14736242 10.1021/jm030434f Protein farnesyltransferase 2
14736242 10.1021/jm030434f Geranylgeranyl transferase type I 1
16455255 10.1016/j.bmcl.2006.01.019 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine