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Compound Detail

CHEMBL422815

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Cn1cnnc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(O)cc(-c3cccc(Cl)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL422815
Phase Preclinical
Structure Type MOL
InChI Key JQFVATYKOSELCB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

477.4
MW (Da)
5.33
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18Cl2N4O2
MW 477.35
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 26.0 nM 7.58 Inhibition of [3H]FPP incorporation into biotinylated lamin B peptide by farnesy... 14643326

Literature References

PubMed DOI Target Context # Activities
14643326 10.1016/j.bmcl.2003.09.043 Protein farnesyltransferase 1
14643326 10.1016/j.bmcl.2003.09.043 NIH3T3 1

Data from ChEMBL 36 via Core Engine