Details of the Drug

General Information of Drug (ID: DMBGWEK)

Drug Name

GEA 3162

Synonyms

GEA-3162; GEA3162

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

231.04

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C7H4Cl2N4O
IUPAC Name: 3-(3,4-dichlorophenyl)-1-oxa-2-aza-3-azonia-4-azanidacyclopent-2-en-5-imine
Canonical SMILES: C1=CC(=C(C=C1[N+]2=NOC(=N)[N-]2)Cl)Cl
InChI: InChI=1S/C7H4Cl2N4O/c8-5-2-1-4(3-6(5)9)13-11-7(10)14-12-13/h1-3,10H
InChIKey: VXGYFEOSZYEJBK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Long transient receptor potential channel 2 (TRPM2)	TTEBMN7	TRPM2_HUMAN	Activator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4200).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 494).