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Compound Detail

CHEMBL156629

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Cn1cncc1C(OCc1ccc(C#N)cc1NCc1cc(F)cc(F)c1)c1ccc(C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156629
Phase Preclinical
Structure Type MOL
InChI Key JOPIYGRYMLDHNV-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
5.36
ALogP
6
HBA
1
HBD
86.7
PSA (Ų)
0.38
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 C27H21F2N5O
MW 469.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 6.82
IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 EC50 6.82 6.82 150.0 1
Protein farnesyltransferase
CHEMBL2094108
 IC50 6.21 6.21 616.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase EC50 = 150.0 nM 6.82 Effective concentration required for inhibition of farnesylation of Ras protein ... 14736242
Protein farnesyltransferase IC50 = 616.6 nM 6.21 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