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Compound Detail

CHEMBL169817

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COc1ccccc1-c1[nH]c2ccccc2c1CC(=O)N(Cc1ccncc1)C(C)C

Basic Information

ChEMBL ID CHEMBL169817
Phase Preclinical
Structure Type MOL
InChI Key YNFYLZQERVSRSE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
5.22
ALogP
3
HBA
1
HBD
58.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N3O2
MW 413.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.86 5.86 1372.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11294379 10.1016/s0960-894x(01)00061-0 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine