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Compound Detail

CHEMBL183677

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CN(C)[C@@H]1COc2ccc(-c3c(O)cccc3O)cc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL183677
Phase Preclinical
Structure Type MOL
InChI Key UVFUGWAVPZMLFX-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.63
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.89
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 C17H19NO3
MW 285.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
15664850 10.1016/j.bmcl.2004.11.013 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine