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Compound Detail

CHEMBL3415806

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C#CCN(C)CC(=C)c1ccsc1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415806
Phase Preclinical
Structure Type MOL
InChI Key CJSYOAMYONOSMP-UHFFFAOYSA-N
Parent Compound CHEMBL3559076
Active Moiety CHEMBL3559076
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

191.3
MW (Da)
2.33
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.66
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 C13H15NO4S
MW 281.33
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
25627172 10.1021/jm501722s Amine oxidase [flavin-containing] B 1
25627172 10.1021/jm501722s Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine