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Compound Detail

CHEMBL344703

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Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(O)cc(-c3cccc(Cl)c3)c2c1

Basic Information

ChEMBL ID CHEMBL344703
Phase Preclinical
Structure Type MOL
InChI Key YLWZTUJNSOKAOC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.4
MW (Da)
5.93
ALogP
5
HBA
2
HBD
71.2
PSA (Ų)
0.34
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 C26H19Cl2N3O2
MW 476.36
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.81

Activity Summary

IC50 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 8.4 8.4 4.0 1
NIH3T3
CHEMBL614822
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

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