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Compound Detail

CHEMBL85564

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O=C(CC1CCNCC1)N1CCN(C2c3ccc(Cl)cc3SCc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL85564
Phase Preclinical
Structure Type MOL
InChI Key URIAEERZIAFNMX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.0
MW (Da)
3.96
ALogP
5
HBA
1
HBD
48.5
PSA (Ų)
0.76
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 C24H29ClN4OS
MW 457.04
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.96 5.96 1100.0 1

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 1

Data from ChEMBL 36 via Core Engine