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Compound Detail

CHEMBL128914

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CC1=NCCc2c1n(C)c1ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128914
Phase Preclinical
Structure Type MOL
InChI Key VFTZQBYIXCTPAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

198.3
MW (Da)
2.54
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2
MW 198.27
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
12930153 10.1021/jm030080s 5-hydroxytryptamine receptor 5A 1

Data from ChEMBL 36 via Core Engine