Details of the Drug

General Information of Drug (ID: DMAWI4M)

Drug Name
SC-514
Synonyms
354812-17-2; Sc 514; SC514; 4-Amino-[2,3'-bithiophene]-5-carboxamide; 3-amino-5-(thiophen-3-yl)thiophene-2-carboxamide; CHEMBL193093; IKK-2 Inhibitor, SC-514; 5-(Thien-3-yl)-3-aminothiophene-2-carboxamide; C9H8N2OS2; GK 01140; Curator_000007; 4-Amino-[2,3-bithiophene]-5-carboxamide; BiomolKI_000076; BiomolKI2_000080; AC1MD9M6; 3-amino-5-thiophen-3-ylthiophene-2-carboxamide; Oprea1_591652; SCHEMBL4082097; KS-00000XLB; CHEBI:92464; ZINC81904; CTK8E9458; BDBM26098; SYN5231
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) 224.3
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H8N2OS2
IUPAC Name
3-amino-5-thiophen-3-ylthiophene-2-carboxamide
Canonical SMILES
C1=CSC=C1C2=CC(=C(S2)C(=O)N)N
InChI
InChI=1S/C9H8N2OS2/c10-6-3-7(5-1-2-13-4-5)14-8(6)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKey
BMUACLADCKCNKZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2807869
ChEBI ID
CHEBI:92464
CAS Number
354812-17-2
TTD ID
D0T6VA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Inhibitor of nuclear factor kappa-B kinase beta (IKKB) TTJ3E9X IKKB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Inhibitor of nuclear factor kappa-B kinase beta (IKKB) DTT IKBKB 5.74E-08 0.26 0.88
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.