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Compound Detail

CHEMBL331391

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CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331391
Phase Preclinical
Structure Type MOL
InChI Key YDXZCFLYIHUBSR-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.4
MW (Da)
3.57
ALogP
4
HBA
1
HBD
69.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23BrN4O2S
MW 475.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 6.36 6.36 437.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 437.0 nM 6.36 Inhibition of purified recombinant human farnesyltransferase (FT) 11020273

Literature References

PubMed DOI Target Context # Activities
11020273 10.1021/jm000248z Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine