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]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 538.8
Topological Polar Surface Area 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
PubChem CID
74424169
TTD ID
D0Z4FE

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]
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

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