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Compound Detail

CHEMBL70546

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COc1cccc2c1CCNC2

Basic Information

ChEMBL ID CHEMBL70546
Phase Preclinical
Structure Type MOL
InChI Key MCJYXDLWQYGCIQ-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

163.2
MW (Da)
1.34
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.67
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 C10H13NO
MW 163.22
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.05

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
3681890 10.1021/jm00395a006 Phenylethanolamine N-methyltransferase 1
10091706 10.1016/s0960-894x(99)00022-0 Phenylethanolamine N-methyltransferase 1
10091706 10.1016/s0960-894x(99)00022-0 Adrenergic receptor alpha-2 1

Data from ChEMBL 36 via Core Engine