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Compound Detail

CHEMBL1834958

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O=C(O)c1cc(CCc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1834958
Phase Preclinical
Structure Type MOL
InChI Key FELIDCYCZXKKDX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
3.07
ALogP
5
HBA
3
HBD
116.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O5S
MW 398.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.83

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
21889337 10.1016/j.bmcl.2011.07.081 Cystine/glutamate transporter 1
30522056 10.1016/j.ejmech.2018.11.066 Cystine/glutamate transporter 1

Data from ChEMBL 36 via Core Engine