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]
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
CHEMBL91215
CAS Number
41443-28-1
TTD ID
D0R3FS
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Collagen alpha-2(I) chain (COL1A2) OTY7G382 CO1A2_HUMAN Gene/Protein Processing [3]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [4]
E3 ubiquitin-protein ligase XIAP OT24GP9B XIAP_HUMAN Drug Response [4]
Integrin-binding sialoprotein (IBSP) OT29944Y SIAL_HUMAN Gene/Protein Processing [3]
Osteocalcin (BGLAP) OTK1YLWQ OSTCN_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) 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 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.
4 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.