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Compound Detail

CHEMBL85671

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CN1CCC(CC(=O)N2CCC(=C3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1

Basic Information

ChEMBL ID CHEMBL85671
Phase Preclinical
Structure Type MOL
InChI Key UNQXNXZNETUFGG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.1
MW (Da)
5.50
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30ClN3OS
MW 468.07
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.75 5.75 1790.0 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