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Compound Detail

CHEMBL160310

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O=C(O)C1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL160310
Phase Preclinical
Structure Type MOL
InChI Key WFSIJSYETMGYCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
1.18
ALogP
6
HBA
6
HBD
130.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO6
MW 331.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.18

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