Details of the Drug

General Information of Drug (ID: DM7M9CL)

Drug Name
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
Synonyms CHEMBL476298; AC1MNMTO; 2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile; ZINC33468133; BDBM50262440; AKOS000286735
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) 277.3
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H11N3S
IUPAC Name
2-amino-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
Canonical SMILES
C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)N
InChI
InChI=1S/C16H11N3S/c17-10-13-12(15-7-4-8-20-15)9-14(19-16(13)18)11-5-2-1-3-6-11/h1-9H,(H2,18,19)
InChIKey
WFWGQLLRRFDTHC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3355253
ChEBI ID
CHEMBL476298
TTD ID
D0BC7P
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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.