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Compound Detail

CHEMBL10572

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CSCC[C@H](NC(=O)c1ccc(CNCc2ccco2)cc1-c1ccccc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL10572
Phase Preclinical
Structure Type MOL
InChI Key XVGJOWOIPGNNTR-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
4.17
ALogP
5
HBA
3
HBD
91.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N2O4S
MW 438.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.25 6.25 560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10328287 10.1016/s0960-894x(99)00144-4 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine