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Compound Detail

CHEMBL68092

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COC(=O)C(S)[C@H](N)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68092
Phase Preclinical
Structure Type MOL
InChI Key WMMVNZUCJUTYBR-YHMJZVADSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
1.03
ALogP
4
HBA
2
HBD
52.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15NO2S
MW 225.31
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.13

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80464-9 Leukotriene A-4 hydrolase 1
3184126 10.1021/jm00119a022 Aminopeptidase N 1
3184126 10.1021/jm00119a022 Cytosol aminopeptidase 1
3184126 10.1021/jm00119a022 Aminopeptidase B 1

Data from ChEMBL 36 via Core Engine