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Compound Detail

CHEMBL131771

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NCCCCc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131771
Phase Preclinical
Structure Type MOL
InChI Key TUCKGJZYCMYNAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

183.7
MW (Da)
2.62
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14ClN
MW 183.68
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
8831767 10.1021/jm9603936 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine