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]
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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
TTD ID: D08ZIS

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.