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Compound Detail

CHEMBL423459

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CSCC[C@H](NC(=O)c1ccc(CCc2cccnc2)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423459
Phase Preclinical
Structure Type MOL
InChI Key OJMDOBBZTGRJTI-DEOSSOPVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
4.78
ALogP
4
HBA
2
HBD
79.3
PSA (Ų)
0.47
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 C26H28N2O3S
MW 448.59
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 2.1 nM 8.68 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