Details of the Drug

General Information of Drug (ID: DMSAJO8)

Drug Name

ODQ

Synonyms

1h-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one; 41443-28-1; ODQ; [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one; UNII-S57V2NMV38; S57V2NMV38; 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one; ODQ, 98%; SR-01000075519; 1-H-[1,2,4]Oxadiazolo-[4,3,2]quinoxalin-1-ine; 1H-ODQ; Tocris-0880; AC1L1BIQ; Lopac-O-3636; AC1Q6H5T; Lopac0_000953; SCHEMBL210817; CHEMBL598952; GTPL5234; DTXSID2036796; CTK1D6485; CHEBI:91215; MolPort-003-959-081; HMS3649K18; HMS3262P08; HMS3266N10; KS-000013GE; ZINC2569341; BCP06748; Tox21_500953; GL1507; 1963AH; MFCD00792620; BS0137

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

187.15

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C9H5N3O2
IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
Canonical SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23
InChI: InChI=1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H
InChIKey: LZMHWZHOZLVYDL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1456
ChEBI ID: CHEBI:91215
CAS Number: 41443-28-1
TTD ID: D0R3FS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Soluble guanylyl cyclase (GUCY2D)	TTWNFC2	GUC2D_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Apoptosis regulator BAX (BAX)	OTAW0V4V	BAX_HUMAN	Gene/Protein Processing	[3]
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Gene/Protein Processing	[3]
Collagen alpha-2(I) chain (COL1A2)	OTY7G382	CO1A2_HUMAN	Gene/Protein Processing	[4]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Gene/Protein Processing	[3]
E3 ubiquitin-protein ligase Mdm2 (MDM2)	OTOVXARF	MDM2_HUMAN	Gene/Protein Processing	[3]
E3 ubiquitin-protein ligase XIAP	OT24GP9B	XIAP_HUMAN	Drug Response	[3]
Integrin-binding sialoprotein (IBSP)	OT29944Y	SIAL_HUMAN	Gene/Protein Processing	[4]
Osteocalcin (BGLAP)	OTK1YLWQ	OSTCN_HUMAN	Gene/Protein Processing	[4]
Osteopontin (SPP1)	OTJGC23Y	OSTP_HUMAN	Gene/Protein Processing	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5234).
2	Potent and selective inhibition of nitric oxide-sensitive guanylyl cyclase by 1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one. Mol Pharmacol. 1995 Aug;48(2):184-8.
3	Regulation of p53 and suppression of apoptosis by the soluble guanylyl cyclase/cGMP pathway in human ovarian cancer cells. Oncogene. 2006 Apr 6;25(15):2203-12. doi: 10.1038/sj.onc.1209251.
4	The effect of acrylamide and nitric oxide donors on human mesenchymal progenitor cells. Toxicol In Vitro. 2012 Sep;26(6):897-906. doi: 10.1016/j.tiv.2012.04.016. Epub 2012 Apr 20.