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Compound Detail

CHEMBL133710

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Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1ccsc1Cl

Basic Information

ChEMBL ID CHEMBL133710
Phase Preclinical
Structure Type MOL
InChI Key IRJGNXISNCLGEF-HZPDHXFCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
5.68
ALogP
5
HBA
0
HBD
27.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14Cl2N2OS2
MW 397.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.64 5.64 2300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 2300.0 nM 5.64 Inhibitory activity against recombinant human farnesyltransferase 9406600

Literature References

PubMed DOI Target Context # Activities
9406600 10.1021/jm970291v Protein farnesyltransferase 2

Data from ChEMBL 36 via Core Engine