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Compound Detail

CHEMBL12367

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COc1cc2c(cc1OC)CNCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12367
Phase Preclinical
Structure Type MOL
InChI Key CEIXWJHURKEBMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
1.35
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H15NO2
MW 193.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
37689215 10.1016/j.bmcl.2023.129470 Unchecked 3
36262392 10.1021/acsmedchemlett.2c00228 Amine oxidase [flavin-containing] B 2
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 1
36262392 10.1021/acsmedchemlett.2c00228 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine