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Compound Detail

CHEMBL497328

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COc1ccc(S(=O)(=O)NCCCN2CCN(C(=O)OCc3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497328
Phase Preclinical
Structure Type MOL
InChI Key YUHQNLPCANLKGQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
2.32
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O5S
MW 447.56
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
18456500 10.1016/j.bmc.2008.04.023 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine