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Compound Detail

CHEMBL85670

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O=C(CC1CCNCC1)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL85670
Phase Preclinical
Structure Type MOL
InChI Key REACFXVGXXIOJH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.0
MW (Da)
5.15
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.68
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 C25H28ClN3OS
MW 454.04
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.23 6.23 590.0 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