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Compound Detail

CHEMBL82567

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NCCCC(=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82567
Phase Preclinical
Structure Type MOL
InChI Key WIUNBQSCYJOJFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

181.2
MW (Da)
1.75
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.72
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 C10H12FNO
MW 181.21
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
8355253 10.1021/jm00069a010 5-hydroxytryptamine receptor 1A 1
8355253 10.1021/jm00069a010 5-hydroxytryptamine receptor 2C 1
8355253 10.1021/jm00069a010 Serotonin 2 (5-HT2) receptor 1

Data from ChEMBL 36 via Core Engine