EcoDrugPlus


Synonyms	Docatone Doxapram
Status
Molecule Category	Free-form
ATC	R07AB01
UNII	94F3830Q73
EPA CompTox	DTXSID2022963


InChI Key	XFDJYSQDBULQSI-UHFFFAOYSA-N
Smiles	CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O
InChI	InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3

Property Name	Value
Molecular Formula	C24H30N2O2
Molecular Weight	378.52
AlogP	3.17
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	32.78
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	28.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel	-	410	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	410	-	-	-

Resources	Reference
ChEBI	681848
ChEMBL	CHEMBL1754
DrugBank	DB00561
DrugCentral	953
FDA SRS	94F3830Q73
Human Metabolome Database	HMDB0014701
Guide to Pharmacology	7169
PharmGKB	PA164784026
PubChem	3156
SureChEMBL	SCHEMBL644504

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

DOXAPRAM

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References