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Compound Detail

CHEMBL322633

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C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL322633
Phase Preclinical
Structure Type MOL
InChI Key TUBOXDVNLNZONF-SMDDNHRTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
2.30
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21NO2
MW 235.33
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
1681106 10.1021/jm00114a018 Glutamate NMDA receptor 1
1681106 10.1021/jm00114a018 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine