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Compound Detail

CHEMBL132580

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CCCN(CCC)[C@@H]1C[C@@H]1c1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL132580
Phase Preclinical
Structure Type MOL
InChI Key NHIZHIQMHLZUQZ-HUUCEWRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.4
MW (Da)
3.67
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25NO
MW 247.38
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00045-5 5-hydroxytryptamine receptor 5A 1

Data from ChEMBL 36 via Core Engine