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Compound Detail

CHEMBL69312

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Oc1cccc2c1CNCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL69312
Phase Preclinical
Structure Type MOL
InChI Key UHEOSCFYXMSUPR-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

149.2
MW (Da)
1.04
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H11NO
MW 149.19
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.59

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