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Compound Detail

CHEMBL169934

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CN1CCC(OC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1

Basic Information

ChEMBL ID CHEMBL169934
Phase Preclinical
Structure Type MOL
InChI Key LAFPBEWYXXKTKR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

533.9
MW (Da)
4.53
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30BrClN4O2
MW 533.90
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.51 6.51 310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 310.0 nM 6.51 In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene 9526562

Literature References

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

Data from ChEMBL 36 via Core Engine