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Compound Detail

CHEMBL71751

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O=[N+]([O-])c1ccc(CC2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL71751
Phase Preclinical
Structure Type MOL
InChI Key YVRQVZDDBLLPEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

205.2
MW (Da)
1.14
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.59
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 C10H11N3O2
MW 205.22
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.81

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