Details of the Drug

General Information of Drug (ID: DM3S26I)

Drug Name
2-(3,4-dimethoxybenzamido)thiophene-3-carboxamide
Synonyms
2-(3,4-dimethoxybenzamido)thiophene-3-carboxamide; CHEMBL210622; MolPort-003-062-950; ZINC4275736; AC1N3474; BDBM50185082; AKOS024605336; MCULE-1480938066; SR-01000011723; SR-01000011723-1; F1358-0295; 2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide
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) 306.34
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H14N2O4S
IUPAC Name
2-[(3,4-dimethoxybenzoyl)amino]thiophene-3-carboxamide
Canonical SMILES
COC1=C(C=C(C=C1)C(=O)NC2=C(C=CS2)C(=O)N)OC
InChI
InChI=1S/C14H14N2O4S/c1-19-10-4-3-8(7-11(10)20-2)13(18)16-14-9(12(15)17)5-6-21-14/h3-7H,1-2H3,(H2,15,17)(H,16,18)
InChIKey
LORRZRFBMUDPOE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4106590
TTD ID
D0ZO8Z

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fms-like tyrosine kinase 3 (FLT-3) TTGJCWZ FLT3_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
Fms-like tyrosine kinase 3 (FLT-3) DTT FLT3 2.11E-01 -0.05 -0.16
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Identification of 2-acylaminothiophene-3-carboxamides as potent inhibitors of FLT3. Bioorg Med Chem Lett. 2006 Jun 15;16(12):3282-6.