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Compound Detail

CHEMBL309111

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N[C@H]1C2CCC1c1c(O)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309111
Phase Preclinical
Structure Type MOL
InChI Key YDBIMCUNUPTQML-AYVLWNQUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
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 1.06

Literature References

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

Data from ChEMBL 36 via Core Engine