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Compound Detail

CHEMBL163270

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CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncnc2)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163270
Phase Preclinical
Structure Type MOL
InChI Key SDOSQMQIXOUHSQ-MNQSQUENSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
4.56
ALogP
5
HBA
2
HBD
92.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N3O3S
MW 447.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 7.6 7.6 25.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 25.0 nM 7.6 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