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Compound Detail

CHEMBL156862

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COc1cccc(-c2cc(C#N)ccc2COC(c2ccc(C#N)c(Cl)c2)c2cncn2C)c1

Basic Information

ChEMBL ID CHEMBL156862
Phase Preclinical
Structure Type MOL
InChI Key GNTDYQGZTXYILN-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

468.9
MW (Da)
5.80
ALogP
6
HBA
0
HBD
83.9
PSA (Ų)
0.34
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 C27H21ClN4O2
MW 468.94
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.11

Activity Summary

EC50 1 meas. best 6.89
IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
EC50 6.89 6.89 130.0 1
Protein farnesyltransferase
CHEMBL2094108
IC50 6.01 6.01 977.2 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