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Compound Detail

CHEMBL82004

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O=C(Cc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3S(=O)(=O)Cc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL82004
Phase Preclinical
Structure Type MOL
InChI Key WBPFFIOJPTYZOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.0
MW (Da)
4.08
ALogP
5
HBA
0
HBD
80.2
PSA (Ų)
0.55
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 C25H22ClN3O3S
MW 479.99
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.25 6.25 560.0 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