OPIPRAMOL

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Synonyms
Status
Molecule Category Free-form
ATC N06AA05
UNII D23ZXO613C
EPA CompTox DTXSID3023394

Structure

InChI Key YNZFUWZUGRBMHL-UHFFFAOYSA-N
Smiles OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1
InChI
InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29N3O
Molecular Weight 363.5
AlogP 3.31
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 29.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- - - 13-17 -
Membrane receptor
- - - 0.2 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 0.2 -
Homo sapiens
- - - 13 -
Saccharomyces cerevisiae
- - - 17 -

Cross References

Resources Reference
ChEBI 94614
ChEMBL CHEMBL370753
DrugBank DB12930
DrugCentral 1993
FDA SRS D23ZXO613C
Guide to Pharmacology 11247
PubChem 9417
SureChEMBL SCHEMBL49841
ZINC ZINC000021981303
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