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Compound Detail

CHEMBL70397

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COc1cccc2c1C1CC2[C@H](N)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70397
Phase Preclinical
Structure Type MOL
InChI Key RVEWUKRGIUXYFV-YXGXMSFMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

189.3
MW (Da)
2.00
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.73
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 C12H15NO
MW 189.26
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.68

Literature References

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

Data from ChEMBL 36 via Core Engine