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Compound Detail

CHEMBL127610

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C[C@H](NC[C@@H](N)CS)C(=O)NCc1ccccc1

Basic Information

ChEMBL ID CHEMBL127610
Phase Preclinical
Structure Type MOL
InChI Key MESXELDANGSNIM-CMPLNLGQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
0.54
ALogP
4
HBA
4
HBD
67.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21N3OS
MW 267.40
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 5.7 5.7 2000.0 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