EcoDrugPlus


Synonyms	4-dimethylaminoantipyrine Amidazophene Amidopyrazoline Amidopyrine Aminophenazone Aminopyrine Brufaneuxol Dereuma Febron Itamidone Mamallet a NSC-4993 Netsusarin
Status
Molecule Category	Free-form
UNII	01704YP3MO
EPA CompTox	DTXSID7020504


InChI Key	RMMXTBMQSGEXHJ-UHFFFAOYSA-N
Smiles	Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C
InChI	InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3

Property Name	Value
Molecular Formula	C13H17N3O
Molecular Weight	231.3
AlogP	1.55
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	30.17
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	17.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	-	-	-	11-66

Resources	Reference
ChEBI	160246
ChEMBL	CHEMBL288470
DrugBank	DB01424
DrugCentral	171
FDA SRS	01704YP3MO
Human Metabolome Database	HMDB0015493
KEGG	C07539
PharmGKB	PA164748135
SureChEMBL	SCHEMBL26293
ZINC	ZINC000000057115

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...

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

Last update: Monday, 3 November 2025

AMINOPYRINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References