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Compound Detail

CHEMBL156061

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COC(=O)c1ccc(COC(c2ccc(C#N)cc2)c2cncn2C)c(-c2cccc(OC)c2)c1

Basic Information

ChEMBL ID CHEMBL156061
Phase Preclinical
Structure Type MOL
InChI Key JNGWGWFXDDPCTD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
5.06
ALogP
7
HBA
0
HBD
86.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N3O4
MW 467.53
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 4.88 4.88 13182.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 13182.57 nM 4.88 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