Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL306199

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc2c(c1)C1CCC2[C@@H]1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306199
Phase Preclinical
Structure Type MOL
InChI Key KVGKYNHNCMDTBH-CBINBANVSA-N
0
Targets
1
Activities
1
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 0.56

Activity Summary

Ki 1 meas.

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