Details of the Drug

General Information of Drug (ID: DM4YWQN)

Drug Name
4-(2-thienyl)benzene-1,2-diamine
Synonyms
4-(thiophen-2-yl)benzene-1,2-diamine; 471239-63-1; 4-(2-thienyl)-1,2-Benzenediamine; CHEMBL495702; SCHEMBL2873589; XWTMGMKBRLLEFX-UHFFFAOYSA-N; MolPort-042-605-637; ZINC40977399; AKOS033921192; DA-05644; FT-0738633
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) 190.27
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H10N2S
IUPAC Name
4-thiophen-2-ylbenzene-1,2-diamine
Canonical SMILES
C1=CSC(=C1)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C10H10N2S/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,11-12H2
InChIKey
XWTMGMKBRLLEFX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13007805
ChEBI ID
CHEMBL495702
TTD ID
D08ZIS
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Parallel medicinal chemistry approaches to selective HDAC1/HDAC2 inhibitor (SHI-1:2) optimization. Bioorg Med Chem Lett. 2009 Feb 15;19(4):1168-72.