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Compound Detail

CHEMBL155991

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Oc1cc2c(cc1O)C1CNC(C2)c2cc(O)c(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155991
Phase Preclinical
Structure Type MOL
InChI Key YJGZFIYAGPIAJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
1.84
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.48
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 C16H15NO4
MW 285.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.32

Literature References

PubMed DOI Target Context # Activities
6248642 10.1021/jm00180a013 Adrenergic receptor beta 1
6248642 10.1021/jm00180a013 Dopamine receptor 1
6248642 10.1021/jm00180a013 Adrenergic receptor alpha 1

Data from ChEMBL 36 via Core Engine