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Compound Detail

CHEMBL18893

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Basic Information

ChEMBL ID CHEMBL18893
Phase Preclinical
Structure Type MOL
InChI Key CATSNJVOTSVZJV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

114.2
MW (Da)
2.16
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H14O
MW 114.19
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 0.77

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7205880 10.1021/jm00133a003 Phenylethanolamine N-methyltransferase 1
12672239 10.1021/jm021077w Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine