Details of the Drug

General Information of Drug (ID: DM53T8Q)

Drug Name
2-Amino-4,6-di-thiophen-2-yl-nicotinonitrile
Synonyms
CHEMBL455264; 2-amino-4,6-di(2-thienyl)nicotinonitrile; AC1MDUJS; Maybridge3_002859; 2-Amino-4,6-di-thiophen-2-yl-nicotinonitrile; AK-245/12665006; MolPort-002-818-186; HMS1439B21; CCG-51878; BDBM50262435; ZINC19815853; MCULE-1768454862; IDI1_014246; SR-01000003726; SR-01000003726-1; 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile; SR-01000003726-2
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 283.4
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H9N3S2
IUPAC Name
2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile
Canonical SMILES
C1=CSC(=C1)C2=CC(=NC(=C2C#N)N)C3=CC=CS3
InChI
InChI=1S/C14H9N3S2/c15-8-10-9(12-3-1-5-18-12)7-11(17-14(10)16)13-4-2-6-19-13/h1-7H,(H2,16,17)
InChIKey
NMMNXFUCSNOZLW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2817024
ChEBI ID
CHEMBL455264
TTD ID
D04ZTH
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN Inhibitor [1]
Adenosine A2a receptor (ADORA2A) TTM2AOE AA2AR_HUMAN Inhibitor [1]
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References

1 2-Amino-6-furan-2-yl-4-substituted nicotinonitriles as A2A adenosine receptor antagonists. J Med Chem. 2008 Aug 14;51(15):4449-55.