DIPHENYLPYRALINE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R06AA07
UNII: 33361OE3AV

Structure
InChI Key OWQUZNMMYNAXSL-UHFFFAOYSA-N
Smile CN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChI
InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23NO
Molecular Weight 281.4
AlogP 3.89
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 420 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 59788
ChEMBL CHEMBL1492
DrugBank DB01146
DrugCentral 920
EPA CompTox DTXSID3022952
FDA SRS 33361OE3AV
Human Metabolome Database HMDB0015277
Guide to Pharmacology 7165
PharmGKB PA164746377
PubChem 3103
SureChEMBL SCHEMBL119077
ZINC ZINC000000056643
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