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Compound Detail

CHEMBL306940

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c1ccc(-c2ccc(CC3=NCCN3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306940
Phase Preclinical
Structure Type MOL
InChI Key QZQWOXMRSZUXFA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
2.90
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2
MW 236.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
9632357 10.1021/jm970513p 5-hydroxytryptamine receptor 1B 1
9632357 10.1021/jm970513p 5-hydroxytryptamine receptor 1D 1
9632357 10.1021/jm970513p Serotonin 1 receptors; 5-HT1B & 5-HT1D 1

Data from ChEMBL 36 via Core Engine