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Compound Detail

CHEMBL423677

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O=C(Cc1cc[n+]([O-])cc1)N1CCN(C2c3ccc(Cl)cc3SCc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL423677
Phase Preclinical
Structure Type MOL
InChI Key UBHOMARBJHLMPA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.0
MW (Da)
3.45
ALogP
5
HBA
0
HBD
63.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23ClN4O2S
MW 466.99
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.15

Activity Summary

IC50 2 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 7.1 6.05 79.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9873573 10.1016/s0960-894x(98)00439-9 Protein farnesyltransferase 2

Data from ChEMBL 36 via Core Engine