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Compound Detail

CHEMBL2313278

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Cn1c(=O)c2c(cc(/C=C/c3ccc(S(C)(=O)=O)cc3)n2C)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2313278
Phase Preclinical
Structure Type MOL
InChI Key FBFCHNFLBFCNFK-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
1.15
ALogP
7
HBA
0
HBD
83.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O4S
MW 373.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
23281824 10.1021/jm301686s Amine oxidase [flavin-containing] B 1
23281824 10.1021/jm301686s Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine