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Compound Detail

CHEMBL590501

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Cc1cccc(C)c1-c1ccc2c(c1)OCC(N(C)C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL590501
Phase Preclinical
Structure Type MOL
InChI Key IGHWTHSZUYPPRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
3.84
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO
MW 281.40
Aromatic Rings 2
Heavy Atoms 21

Literature References

PubMed DOI Target Context # Activities
20138771 10.1016/j.bmc.2010.01.035 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine