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Compound Detail

CHEMBL134396

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CCc1ccccc1-c1cc(COc2cccnc2)ccc1C(=O)N[C@@H](CCSC)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134396
Phase Preclinical
Structure Type MOL
InChI Key QNAFAZZAFRTFMZ-DEOSSOPVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
4.83
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N2O4S
MW 464.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 9.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
 IC50 9.46 9.46 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 0.35 nM 9.46 In vitro inhibition of farnesyltransferase from bovine brain 9784104

Literature References

PubMed DOI Target Context # Activities
9784104 10.1021/jm980298s Protein farnesyltransferase 1
9784104 10.1021/jm980298s NIH3T3 1

Data from ChEMBL 36 via Core Engine