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Compound Detail

CHEMBL329983

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C=CS(=O)(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL329983
Phase Preclinical
Structure Type MOL
InChI Key GUBVOGOFXDIUMZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.9
MW (Da)
4.20
ALogP
3
HBA
0
HBD
50.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2O2S
MW 400.93
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 1000.0 nM 6.0 Inhibitory activity against protein farnesyltransferase. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00558-6 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine