Details of the Drug

General Information of Drug (ID: DMKGSRZ)

Drug Name

C-176

Synonyms

314054-00-7; N-(4-iodophenyl)-5-nitrofuran-2-carboxamide; C-176 STING inhibitor; STING inhibitor C-176; STING Inhibitor 1; Cambridge id 5344639; Oprea1_000586; Oprea1_014551; 5-Nitro-furan-2-carboxylic acid (4-iodo-phenyl)-amide; CHEMBL3593839; SCHEMBL13219564; ZINC830011; BCP30174; EX-A2974; s6575; STK016322; AKOS000670518; MCULE-4963641555; BS-16912; HY-112906; AK00792625; CS-0067918; ST50232559; STING inhibitor C-176; C176; C 176; AB00081654-01; N-(4-iodophenyl)(5-nitro(2-furyl))carboxamide; SR-01000406953; SR-01000406953-1

Indication

Disease Entry	ICD 11	Status	REF
Aicardi-Goutieres syndrome	5C55.2	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

358.09

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H7IN2O4
IUPAC Name: N-(4-iodophenyl)-5-nitrofuran-2-carboxamide
Canonical SMILES: C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])I
InChI: InChI=1S/C11H7IN2O4/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)
InChIKey: JBIKQXOZLBLMKI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1103958
TTD ID: DP2F6W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stimulator of interferon genes protein (TMEM173)	TTT402Y	STING_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Pharmacological modulation of nucleic acid sensors - therapeutic potential and persisting obstacles. Nat Rev Drug Discov. 2019 Nov;18(11):845-867.
2	Stimulator of IFN genes mediates neuroinflammatory injury by suppressing AMPK signal in experimental subarachnoid hemorrhage. J Neuroinflammation. 2020 May 25;17(1):165.