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Compound Detail

CHEMBL129718

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CCC(C)[C@H](NC[C@@H](N)CS)C(=O)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL129718
Phase Preclinical
Structure Type MOL
InChI Key AYNPFAAZFLEQEU-AOUZGSJDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
1.89
ALogP
4
HBA
4
HBD
67.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N3OS
MW 295.45
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 7.16 7.16 70.0 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