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Compound Detail

CHEMBL339824

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CCCCN(Cc1ccccc1)C(=O)[C@@H](NC[C@@H](N)CS)C(C)CC

Basic Information

ChEMBL ID CHEMBL339824
Phase Preclinical
Structure Type MOL
InChI Key KNCNFHQKPFDTRS-VITQDTLGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.6
MW (Da)
3.08
ALogP
4
HBA
3
HBD
58.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H35N3OS
MW 365.59
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.71

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7562930 10.1021/jm00020a010 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine