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Compound Detail

CHEMBL131739

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O=C(Nc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL131739
Phase Preclinical
Structure Type MOL
InChI Key UJUDQUWVGQNGQC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.9
MW (Da)
5.36
ALogP
3
HBA
1
HBD
58.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23ClN4O
MW 430.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.06 6.06 870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 870.0 nM 6.06 Inhibitory activity against recombinant human farnesyltransferase 9406600

Literature References

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

Data from ChEMBL 36 via Core Engine