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Compound Detail

CHEMBL163383

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CSCC[C@H](NC(=O)c1ccc(CCc2c[nH]cn2)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163383
Phase Preclinical
Structure Type MOL
InChI Key VUSLWIIXXJGJJI-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
4.11
ALogP
4
HBA
3
HBD
95.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O3S
MW 437.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 9.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 9.82 9.82 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 0.15 nM 9.82 Inhibitory activity against farnesyltransferase (FT) using SPA assay 10201832

Literature References

PubMed DOI Target Context # Activities
10201832 10.1016/s0960-894x(99)00080-3 Protein farnesyltransferase 1
10201832 10.1016/s0960-894x(99)00080-3 NIH3T3 1

Data from ChEMBL 36 via Core Engine