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Compound Detail

CHEMBL61595

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N[C@@H]1CC2CC1c1cc(O)c(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61595
Phase Preclinical
Structure Type MOL
InChI Key QPAZOFORCJMYGG-NWAXUVLPSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
1.40
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13NO2
MW 191.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.22

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
3681890 10.1021/jm00395a006 Phenylethanolamine N-methyltransferase 3
3761316 10.1021/jm00160a029 Phenylethanolamine N-methyltransferase 2
3761316 10.1021/jm00160a029 ADMET 1
3681890 10.1021/jm00395a006 Unchecked 1

Data from ChEMBL 36 via Core Engine