EcoDrugPlus


Synonyms	Diphenylpyraline
Status
Molecule Category	Free-form
ATC	R06AA07
UNII	33361OE3AV
EPA CompTox	DTXSID3022952


InChI Key	OWQUZNMMYNAXSL-UHFFFAOYSA-N
Smiles	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

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

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

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	420	-	-	70

Resources	Reference
CAS NUMBER	147-20-6
ChEBI	59788
ChEMBL	CHEMBL1492
DrugBank	DB01146
DrugCentral	920
FDA SRS	33361OE3AV
Human Metabolome Database	HMDB0015277
Guide to Pharmacology	7165
PharmGKB	PA164746377
PubChem	3103
SureChEMBL	SCHEMBL119077
ZINC	ZINC000000056643

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 27^th July 2026

DIPHENYLPYRALINE

Structure

Physicochemical Descriptors

Pharmacology

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