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Compound Detail

CHEMBL155310

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Cn1cncc1C(OCc1ccc(C#N)cc1C(=O)Nc1cccc(Cl)c1)c1ccc(C#N)cc1

Basic Information

ChEMBL ID CHEMBL155310
Phase Preclinical
Structure Type MOL
InChI Key DZYGQZQTEVKSFD-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

481.9
MW (Da)
5.38
ALogP
6
HBA
1
HBD
103.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20ClN5O2
MW 481.94
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.43

Activity Summary

EC50 1 meas. best 8.46
IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
EC50 8.46 8.46 3.5 1
Protein farnesyltransferase
CHEMBL2094108
IC50 6.12 6.12 758.6 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