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Compound Detail

CHEMBL317408

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O=C(c1ccccc1Br)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL317408
Phase Preclinical
Structure Type MOL
InChI Key MVAGGJAVZTXHOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.3
MW (Da)
6.07
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18BrN3O
MW 456.34
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 7.06 7.06 88.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11677136 10.1016/s0960-894x(01)00593-5 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine