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Compound Detail

CHEMBL509291

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COc1noc2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL509291
Phase Preclinical
Structure Type MOL
InChI Key BGVLOJBYTSTMBP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

183.6
MW (Da)
2.49
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H6ClNO2
MW 183.59
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
18507366 10.1021/jm800200u D-amino-acid oxidase 1

Data from ChEMBL 36 via Core Engine