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Compound Detail

CHEMBL156387

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Cn1cncc1C(OCc1ccc(C#N)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1F

Basic Information

ChEMBL ID CHEMBL156387
Phase Preclinical
Structure Type MOL
InChI Key AWZZZEMGYQBBLL-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

456.9
MW (Da)
5.93
ALogP
5
HBA
0
HBD
74.6
PSA (Ų)
0.36
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 C26H18ClFN4O
MW 456.91
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.13

Activity Summary

EC50 1 meas. best 8.48
IC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
EC50 8.48 8.48 3.3 1
Protein farnesyltransferase
CHEMBL2094108
IC50 6.11 6.11 776.2 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