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Compound Detail

CHEMBL61712

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N[C@@H]1CC2CC1c1cccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61712
Phase Preclinical
Structure Type MOL
InChI Key XJALCVYCPLFDSF-KPIFQKDSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

175.2
MW (Da)
1.69
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.63
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 C11H13NO
MW 175.23
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 1.11

Activity Summary

Ki 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine