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Compound Detail

CHEMBL354677

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Cc1ccccc1-c1c(CC(=O)N(Cc2ccncc2)C(C)C)c2ccccc2n1C

Basic Information

ChEMBL ID CHEMBL354677
Phase Preclinical
Structure Type MOL
InChI Key QBIOEIXFXALQMC-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.6
MW (Da)
5.53
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N3O
MW 411.55
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.07

Activity Summary

EC50 1 meas. best 5.97
IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 7.92 7.92 12.0 1
Protein farnesyltransferase
CHEMBL2094108
EC50 5.97 5.97 1064.0 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 2

Data from ChEMBL 36 via Core Engine