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Compound Detail

CHEMBL29064

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Cn1cncc1CNc1ccc(C#N)c(-c2cccc3ccccc23)c1

Basic Information

ChEMBL ID CHEMBL29064
Phase Preclinical
Structure Type MOL
InChI Key SNIWQLOCIIZGJA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
4.72
ALogP
4
HBA
1
HBD
53.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N4
MW 338.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.19

Activity Summary

IC50 2 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 8.72 8.115 1.9 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12657284 10.1016/s0960-894x(03)00096-9 Protein farnesyltransferase 2
12657284 10.1016/s0960-894x(03)00096-9 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine