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Compound Detail

CHEMBL434429

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Fc1cccc(Cl)c1CO[C@@H]1c2ccc(Cl)cc2S[C@@H]1Cn1ccnc1

Basic Information

ChEMBL ID CHEMBL434429
Phase Preclinical
Structure Type MOL
InChI Key XQMCWQORDLCOTI-RTBURBONSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.3
MW (Da)
5.76
ALogP
4
HBA
0
HBD
27.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15Cl2FN2OS
MW 409.31
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.36 5.36 4400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 4400.0 nM 5.36 Inhibitory activity against recombinant human farnesyltransferase 9406600

Literature References

PubMed DOI Target Context # Activities
9406600 10.1021/jm970291v Protein farnesyltransferase 2

Data from ChEMBL 36 via Core Engine