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Compound Detail

CHEMBL335871

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O=C(Cc1ccccc1)N1CCN(C2c3ccc(Cl)cc3CCc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL335871
Phase Preclinical
Structure Type MOL
InChI Key FRWLIKCCPAPJPP-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.0
MW (Da)
4.31
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26ClN3O
MW 431.97
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.91

Activity Summary

IC50 3 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.57 5.35 2700.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9526562 10.1021/jm970462w Protein farnesyltransferase 2
9406600 10.1021/jm970291v Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine