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Compound Detail

CHEMBL140358

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CC(C)NCCCOc1cccc2[nH]ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140358
Phase Preclinical
Structure Type MOL
InChI Key WVZTUANJXARAQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.93
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N2O
MW 232.33
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
9435911 10.1021/jm970507t 5-hydroxytryptamine receptor 1B 1

Data from ChEMBL 36 via Core Engine