General Information of Drug (ID: DM2HLGC)

Drug Name
DZ9
Synonyms
CHEMBL1084955; 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide; 3hfj; NadD inhibitor 3_02; AC1MMP3S; SCHEMBL11887601; HMS1801K16; RSC004746; BDBM50318653; NCGC00100444-01; EU-0014464; US8785499, 3_02; 3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide; DZ9
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 369.4
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H12FN3OS2
IUPAC Name
3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
Canonical SMILES
C1=CC(=CC(=C1)F)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N
InChI
InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
InChIKey
UCTSEHMMSSIODN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3289443
TTD ID
D0A0BS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Nicotinate-nucleotide adenylyltransferase (Bact nadD) TT1NFO3 NADD_ECOLI Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Targeting NAD biosynthesis in bacterial pathogens. US8785499.