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Compound Detail

CHEMBL182561

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C[C@H](Nc1cccc(NCCOc2ccccc2)n1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL182561
Phase Preclinical
Structure Type MOL
InChI Key HIQDKLJUYSKSDB-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
4.75
ALogP
4
HBA
2
HBD
46.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O
MW 333.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.19

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