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Compound Detail

CHEMBL160143

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COc1cc(CC2(C(=O)O)NCCc3cc(O)c(O)cc32)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL160143
Phase Preclinical
Structure Type MOL
InChI Key LGYXMDVDIVQITJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
1.48
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO6
MW 345.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.15

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