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Compound Detail

CHEMBL348861

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Cn1cncc1C(OCc1ccc(C#N)cc1-c1cccc2cccnc12)c1ccc(C#N)cc1

Basic Information

ChEMBL ID CHEMBL348861
Phase Preclinical
Structure Type MOL
InChI Key BFCHBQPHWASEBB-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
5.68
ALogP
6
HBA
0
HBD
87.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H21N5O
MW 455.52
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.86

Activity Summary

EC50 1 meas. best 7.82
IC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
EC50 7.82 7.82 15.0 1
Protein farnesyltransferase
CHEMBL2094108
IC50 5.28 5.28 5248.1 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