Details of the Drug

General Information of Drug (ID: DMIZB81)

• Drug Name: Pyrazine-2-carboxylic acid adamantan-1-ylamide
• Synonyms: CHEMBL253348; Pyrazine-2-carboxylic acid adamantan-1-ylamide; BAS 03365795; AC1MG7YQ; Cambridge id 7248781; Oprea1_265306; Oprea1_647087; MLS000088554; cid_2931812; MolPort-001-540-487; HMS2379I12; ZINC4197514; N-adamantanylpyrazin-2-ylcarboxamide; N-1-adamantyl-2-pyrazinecarboxamide; BDBM50231727; STK431969; AKOS000665660; N-(1-adamantyl)pyrazine-2-carboxamide; SDCCGMLS-0024327.P002; MCULE-4724742312; SMR000071836; ST50923663

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 257.329
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H19N3O
  IUPAC Name: N-(1-adamantyl)pyrazine-2-carboxamide
  Canonical SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC=CN=C4
  InChI: InChI=1S/C15H19N3O/c19-14(13-9-16-1-2-17-13)18-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H,18,19)
  InChIKey: RURVWNUUUXCYRB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2931812
  TTD ID: D0S9WV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 1 (mGluR1)	TTVBPDM	GRM1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 1 (mGluR1)	DTT	GRM1	2.31E-01	-0.05	-0.2
Metabotropic glutamate receptor 1 (mGluR1)	DTT	GRM1	2.46E-02	0.11	0.74

References

• [1] Positive and negative modulation of group I metabotropic glutamate receptors. J Med Chem. 2008 Feb 14;51(3):634-47.