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Compound Detail

CHEMBL155876

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CCOc1ccc(-c2cc(C#N)ccc2COC(c2ccc(C#N)cc2)c2cncn2C)cc1

Basic Information

ChEMBL ID CHEMBL155876
Phase Preclinical
Structure Type MOL
InChI Key RWTBJMBEVNIOKF-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
5.54
ALogP
6
HBA
0
HBD
83.9
PSA (Ų)
0.35
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 C28H24N4O2
MW 448.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.87

Activity Summary

EC50 1 meas. best 7.89
IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
EC50 7.89 7.89 13.0 1
Protein farnesyltransferase
CHEMBL2094108
IC50 5.92 5.92 1202.3 1

Activity Data Samples

Top measurements by pChEMBL value

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