Details of the Drug | DrugMAP

General Information of Drug (ID: DMX7Y52)

Drug Name	PMID26882240-Compound-2
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			188.3
	Logarithm of the Partition Coefficient (xlogp)			2.3
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			3
Chemical Identifiers	Formula C7H12N2S2 IUPAC Name 2-(butan-2-yldisulfanyl)-1H-imidazole Canonical SMILES CCC(C)SSC1=NC=CN1 InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9) InChIKey BPBPYQWMFCTCNG-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 219104 ChEBI ID CHEBI:94291 CAS Number 141400-58-0 DrugBank ID DB05448 TTD ID D0M0UE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hypoxia-inducible factor 1 (HIF-1)	TTUX68I	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Hypoxia-inducible factor (HIF) inhibitors: a patent survey (2011-2015).Expert Opin Ther Pat. 2016;26(3):309-22.