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Compound Detail

CHEMBL77181

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Clc1cccc(N2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL77181
Phase Preclinical
Structure Type MOL
InChI Key SNFXKHJDUXYNSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

197.7
MW (Da)
2.18
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12ClNO
MW 197.66
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -2.15

Literature References

PubMed DOI Target Context # Activities
1535661 10.1021/jm00091a004 5-hydroxytryptamine receptor 1A 1
1535661 10.1021/jm00091a004 No relevant target 1

Data from ChEMBL 36 via Core Engine