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Compound Detail

CHEMBL284257

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COc1ccc(OC)c2c1CCNC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284257
Phase Preclinical
Structure Type MOL
InChI Key XYFBJOKZCLYMEM-UHFFFAOYSA-N
0
Targets
2
Activities
1
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

First in Class Prodrug

Extended Properties

Molecular Formula C11H15NO2
MW 193.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.16

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
6118438 10.1021/jm00144a012 Alpha-1A adrenergic receptor 1
6118438 10.1021/jm00144a012 Oryctolagus cuniculus 1
10091706 10.1016/s0960-894x(99)00022-0 Phenylethanolamine N-methyltransferase 1
10091706 10.1016/s0960-894x(99)00022-0 Adrenergic receptor alpha-2 1

Data from ChEMBL 36 via Core Engine