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Compound Detail

CHEMBL182860

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C[C@H](Nc1cccc(NCCOc2ccccc2)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL182860
Phase Preclinical
Structure Type MOL
InChI Key XPJVKFRQKISVNA-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
5.35
ALogP
3
HBA
2
HBD
33.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O
MW 332.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
15261280 10.1016/j.bmcl.2004.06.007 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine