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Compound Detail

CHEMBL156107

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Cn1cncc1C(OCc1ccc(C#N)cc1NS(=O)(=O)c1cccs1)c1ccc(C#N)cc1

Basic Information

ChEMBL ID CHEMBL156107
Phase Preclinical
Structure Type MOL
InChI Key GOWYQYXITBPMTO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
4.33
ALogP
8
HBA
1
HBD
120.8
PSA (Ų)
0.39
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 C24H19N5O3S2
MW 489.58
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.75

Activity Summary

IC50 2 meas. best 9.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 9.06 9.06 0.9 1
Protein farnesyltransferase
CHEMBL2094108
IC50 6.05 6.05 891.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.88 nM 9.06 Inhibition of FTase 17236767
Protein farnesyltransferase IC50 = 891.25 nM 6.05 Inhibition of FTase 16455255

Literature References

PubMed DOI Target Context # Activities
14736242 10.1021/jm030434f Protein farnesyltransferase 2
14736242 10.1021/jm030434f Geranylgeranyl transferase type I 1
16455255 10.1016/j.bmcl.2006.01.019 Protein farnesyltransferase 1
17236767 10.1016/j.bmcl.2006.12.087 Unchecked 1

Data from ChEMBL 36 via Core Engine