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Compound Detail

CHEMBL278059

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Basic Information

ChEMBL ID CHEMBL278059
Phase Preclinical
Structure Type MOL
InChI Key RQEUFEKYXDPUSK-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

121.2
MW (Da)
1.71
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H11N
MW 121.18
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.45

Activity Summary

Ki 6 meas.

Literature References

PubMed DOI Target Context # Activities
11412985 10.1016/s0960-894x(01)00245-1 Phenylethanolamine N-methyltransferase 2
7143366 10.1021/jm00352a031 Phenylethanolamine N-methyltransferase 1
7143357 10.1021/jm00352a021 Phenylethanolamine N-methyltransferase 1
11412985 10.1016/s0960-894x(01)00245-1 Unchecked 1
7143356 10.1021/jm00352a020 Phenylethanolamine N-methyltransferase 1
3336033 10.1021/jm00396a010 Phenylethanolamine N-methyltransferase 1

Data from ChEMBL 36 via Core Engine