Details of the Drug

General Information of Drug (ID: DMMUR6V)

Drug Name
NS-2710
Synonyms ME-3127
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 356.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H20N4O
IUPAC Name
(E)-N-ethoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanimine
Canonical SMILES
CCO/N=C(\\C)/C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)C4=CN=CC=C4
InChI
InChI=1S/C22H20N4O/c1-3-27-25-16(2)17-9-10-22-21(13-17)24-15-26(22)20-8-4-6-18(12-20)19-7-5-11-23-14-19/h4-15H,3H2,1-2H3/b25-16+
InChIKey
NHJFEXZXSCFYRX-PCLIKHOPSA-N
Cross-matching ID
PubChem CID
9863520
ChEBI ID
CHEMBL381625
CAS Number
184220-36-8
TTD ID
D0M2WZ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor alpha-3 (GABRA3) TT37EDJ GBRA3_HUMAN Modulator [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Anxiety disorder
ICD Disease Classification 6B00-6B0Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
GABA(A) receptor alpha-3 (GABRA3) DTT GABRA3 6.05E-02 -0.26 -0.27
GABA(A) receptor alpha-3 (GABRA3) DTT GABRA3 9.54E-01 -0.14 -0.36
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References

1 GABAA receptor subtype-selective modulators. I. alpha2/alpha3-selective agonists as non-sedating anxiolytics. Curr Top Med Chem. 2011;11(9):1176-202.