Details of the Drug

General Information of Drug (ID: DMXTV1B)

Drug Name

6-phenylpyridazin-3-yl thiophene-2-carboxylate

Synonyms

CHEMBL1253380; AC1O4BXS; 6-phenylpyridazin-3-yl thiophene-2-carboxylate; MolPort-002-097-410; HMS1597J02; ZINC1059557; BDBM50326574; MCULE-6134548476; (6-phenylpyridazin-3-yl) thiophene-2-carboxylate

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)

282.3

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H10N2O2S
IUPAC Name: (6-phenylpyridazin-3-yl) thiophene-2-carboxylate
Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(C=C2)OC(=O)C3=CC=CS3
InChI: InChI=1S/C15H10N2O2S/c18-15(13-7-4-10-20-13)19-14-9-8-12(16-17-14)11-5-2-1-3-6-11/h1-10H
InChIKey: WIJDBDCYFCOSHK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6403448
TTD ID: D04MZK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MIF messenger RNA (MIF mRNA)	TT6804T	MIF_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity. Bioorg Med Chem. 2010 Jul 15;18(14):5425-40.