DONITRIPTAN

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Search structure


Synonyms	Donitriptan Donitriptan hydrochloride F-11356
Status
Molecule Category	Free-form
UNII	70968BVH2J
EPA CompTox	DTXSID20168974

Structure


InChI Key	SOHCKWZVTCTQBG-UHFFFAOYSA-N
Smiles	N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1
InChI	InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H25N5O2
Molecular Weight	403.49
AlogP	2.27
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	98.38
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	30.0

Pharmacology

Mechanism of Action	Action	Reference
G protein-coupled receptor 44 antagonist	ANTAGONIST	Other Other

Target Conservation


Protein: Serotonin 1d (5-HT1d) receptor Description: 5-hydroxytryptamine receptor 1D Organism : Homo sapiens P28221 ENSG00000179546








Protein: Serotonin 1b (5-HT1b) receptor Description: 5-hydroxytryptamine receptor 1B Organism : Homo sapiens P28222 ENSG00000135312












Protein: G protein-coupled receptor 44 Description: Prostaglandin D2 receptor 2 Organism : Homo sapiens Q9Y5Y4 ENSG00000183134

Cross References

Resources	Reference
ChEMBL	CHEMBL1742428
FDA SRS	70968BVH2J
Guide to Pharmacology	39
PubChem	197706
SureChEMBL	SCHEMBL1388876
ZINC	ZINC000000579168

CONTENTS

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025