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Compound Detail

CHEMBL120595

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CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)CC1Cc1ccc2ccccc2c1

Basic Information

ChEMBL ID CHEMBL120595
Phase Preclinical
Structure Type MOL
InChI Key LAYFGONHHCIWDG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.4
MW (Da)
5.31
ALogP
3
HBA
1
HBD
52.2
PSA (Ų)
0.42
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 C26H25BrN4O
MW 489.42
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.9 5.9 1260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 1260.0 nM 5.9 Inhibition of purified recombinant human farnesyltransferase (FT) 11020273

Literature References

PubMed DOI Target Context # Activities
11020273 10.1021/jm000248z Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine