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Compound Detail

CHEMBL194143

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Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cc3ccc(C#N)cc3)ccc21

Basic Information

ChEMBL ID CHEMBL194143
Phase Preclinical
Structure Type MOL
InChI Key PHPWMLQIAMSLPU-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

465.0
MW (Da)
5.57
ALogP
5
HBA
0
HBD
63.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21ClN4O
MW 464.96
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.06

Activity Summary

IC50 3 meas. best 8.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 8.33 8.235 4.7 2
Geranylgeranyl transferase type I
CHEMBL2096987
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15808463 10.1016/j.bmcl.2005.02.062 Protein farnesyltransferase 4
15808463 10.1016/j.bmcl.2005.02.062 Geranylgeranyl transferase type I 2

Data from ChEMBL 36 via Core Engine