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Compound Detail

CHEMBL2331804

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Cn1oc2c(c1=O)CCNCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2331804
Phase Preclinical
Structure Type MOL
InChI Key IQPWSMRSMWNRRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

168.2
MW (Da)
-0.33
ALogP
4
HBA
1
HBD
47.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H12N2O2
MW 168.20
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2C 3
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2A 3

Data from ChEMBL 36 via Core Engine