Details of the Drug

General Information of Drug (ID: DMGSKAO)

Drug Name

1-(2-chlorophenyl)-3-(pyridin-2-yl)thiourea

Synonyms

NSC695051; MLS000665964; 1-(2-chlorophenyl)-3-pyridin-2-ylthiourea; CHEMBL1253185; SMR000294655; 1-(2-chlorophenyl)-3-(2-pyridyl)thiourea; N-(2-chlorophenyl)-N'-2-pyridinylthiourea; 61966-21-0; 1-(2-chlorophenyl)-3-(pyridin-2-yl)thiourea; AC1LJD94; cid_972361; CTK2C9582; BDBM47541; DTXSID20359567; MolPort-001-585-178; HMS2680I19; ZINC5933945; STK164730; AKOS002331850; NSC-695051; MCULE-5727736228; NCI60_034026; Thiourea, N-(chlorophenyl)-N'-2-pyridinyl-; ST50765308; 1-(2-chlorophenyl)-3-(2-pyridinyl)thiourea

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)

263.75

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H10ClN3S
IUPAC Name: 1-(2-chlorophenyl)-3-pyridin-2-ylthiourea
Canonical SMILES: C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=N2)Cl
InChI: InChI=1S/C12H10ClN3S/c13-9-5-1-2-6-10(9)15-12(17)16-11-7-3-4-8-14-11/h1-8H,(H2,14,15,16,17)
InChIKey: ZRDDWFAJQXEXAI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 972361
CAS Number: 61966-21-0
TTD ID: D0S0YQ

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.