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Compound Detail

CHEMBL85663

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NC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1

Basic Information

ChEMBL ID CHEMBL85663
Phase Preclinical
Structure Type MOL
InChI Key MPAJJFCONLAFJJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.1
MW (Da)
3.76
ALogP
5
HBA
1
HBD
82.8
PSA (Ų)
0.69
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30ClN5O2S
MW 500.07
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.95 5.95 1120.0 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