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Compound Detail

CHEMBL18585

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Basic Information

ChEMBL ID CHEMBL18585
Phase Preclinical
Structure Type MOL
InChI Key XUSXTHMTOSFZII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

129.2
MW (Da)
0.64
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.55
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 C7H15NO
MW 129.20
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
7205880 10.1021/jm00133a003 Phenylethanolamine N-methyltransferase 1

Data from ChEMBL 36 via Core Engine