Details of the Drug

General Information of Drug (ID: DMSLIW6)

Drug Name

MIN-117

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Phase 2	[1]
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Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

538.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C25H26Cl3N3O4
IUPAC Name: 1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol;hydrochloride
Canonical SMILES: CC1=NN=C(O1)C2=CC3=C(O2)C=CC=C3OCC(CN4CCC(CC4)C5=CC(=C(C=C5)Cl)Cl)O.Cl
InChI: InChI=1S/C25H25Cl2N3O4.ClH/c1-15-28-29-25(33-15)24-12-19-22(3-2-4-23(19)34-24)32-14-18(31)13-30-9-7-16(8-10-30)17-5-6-20(26)21(27)11-17;/h2-6,11-12,16,18,31H,7-10,13-14H2,1H3;1H
InChIKey: HRNDUKHBCUTNAL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Antagonist	[2]
5-HT receptor (5HTR)	TT85JO3	NOUNIPROTAC	Antagonist	[3]
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	Inhibitor	[3]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

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
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800037483)
2	Company report (Minerva Neurosciences),MIN-101,Schizophrenia, 6 trials completed; Once a day formulation completed , Phase IIa completed; Phase IIb enrollment ongoing and expected to continue over the last 3 quarters of 2015.
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)