Details of the Drug

General Information of Drug (ID: DMGVNJ7)

Drug Name

Amineptine

Synonyms

Amineptin; Amineptino; Amineptinum; Amineptine [INN]; S 1694; Amineptine (INN); Amineptino [INN-Spanish]; Amineptinum [INN-Latin]; Survector (TN); 10,11-dihydrodibenzo(a,d)cyclohept-5-enyl-7-aminoheptanoic acid; 7-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)amino)heptanoic acid; 7-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylamino)heptanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Withdrawn from market	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

337.5

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 48 minutes for th [3]
Metabolism: The drug is metabolized via the hepatic []

Adverse Drug Reaction (ADR)

ADR Term	Variation	Related DOT	DOT ID	REF
Hepatitis	Not Available	CYP2E1	OTHQ17JG	[4]
Hepatotoxicity	Not Available	CYP2D6	OTZJC802	[4]
-----------

Chemical Identifiers

Formula: C22H27NO2
IUPAC Name: 7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)heptanoic acid
Canonical SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)NCCCCCCC(=O)O
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)
InChIKey: ONNOFKFOZAJDHT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 34870
ChEBI ID: CHEBI:32499
CAS Number: 57574-09-1
DrugBank ID: DB04836
TTD ID: D08QUV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	Inhibitor	[5]

------------------------------------------------------------------------------------

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 2D6 (CYP2D6)	OTZJC802	CP2D6_HUMAN	Drug Response	[4]
Cytochrome P450 2E1 (CYP2E1)	OTHQ17JG	CP2E1_HUMAN	Drug Response	[4]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Major depressive disorder

ICD Disease Classification

6A70.3

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine transporter (DAT)	DTT	SLC6A3	1.08E-03	-3.08	-1.99

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
5	Amineptine in the treatment of amphetamine withdrawal: a placebo-controlled, randomised, double-blind study. J Med Assoc Thai. 1997 Sep;80(9):587-92.