EcoDrugPlus


Synonyms	Amineptin Amineptine
Status
Molecule Category	Free-form
ATC	N06AA19
UNII	27T1I13L6G
EPA CompTox	DTXSID1048831

Synonyms

Amineptin

Amineptine

Status

Molecule Category

Free-form

ATC

N06AA19

UNII

27T1I13L6G

EPA CompTox

DTXSID1048831


InChI Key	ONNOFKFOZAJDHT-UHFFFAOYSA-N
Smiles	O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21
InChI	InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)

InChI Key

ONNOFKFOZAJDHT-UHFFFAOYSA-N

Smiles

O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21

InChI

InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)

Property Name	Value
Molecular Formula	C22H27NO2
Molecular Weight	337.46
AlogP	4.5
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	49.33
Molecular species	ZWITTERION
Aromatic Rings	2.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C22H27NO2

Molecular Weight

337.46

AlogP

4.5

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

49.33

Molecular species

ZWITTERION

Aromatic Rings

2.0

Heavy Atoms

25.0

Mechanism of Action	Action	Reference
Dopamine D1 and D2 receptor antagonist	ANTAGONIST	PubMed PubMed PubMed

Mechanism of Action

Action

Reference

Dopamine D1 and D2 receptor antagonist

ANTAGONIST

PubMed PubMed PubMed

Resources	Reference
ChEBI	32499
ChEMBL	CHEMBL418995
DrugBank	DB04836
DrugCentral	161
FDA SRS	27T1I13L6G
PubChem	34870
SureChEMBL	SCHEMBL34086
ZINC	ZINC000002001740

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

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

AMINEPTINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References