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Compound Detail

CHEMBL180644

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CN(C)[C@@H]1COc2ccc(-c3ccccc3)cc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL180644
Phase Preclinical
Structure Type MOL
InChI Key FSRAISKJHIQOJO-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.22
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.81
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 C17H19NO
MW 253.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
15664850 10.1016/j.bmcl.2004.11.013 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine