Details of the Drug

General Information of Drug (ID: DMCA2PJ)

Drug Name
ONO-2506
Synonyms
(2R)-2-Propyloctanoic acid; Arundic acid; 185517-21-9; (R)-2-PROPYLOCTANOIC ACID; Proglia; Cereact; ONO 2506; R-(-)-Arundic Acid; UNII-F2628ZD0FO; MK-0724; (R)-(-)-2-Propyloctanoic Acid; F2628ZD0FO; NCGC00183861-01; Acide arundique; Acido arzndico; Acidum arundicum; Arundic acid [INN]; Arocyte; Acide arundique [INN-French]; Acidum arundicum [INN-Latin]; Arundic acid (JAN/INN); Acido arzndico [INN-Spanish]; ONO-2506PO; MK 0724; AC1L4LMD; AC1Q5QIF; SCHEMBL4365; DSSTox_RID_83036; DSSTox_CID_28767; DSSTox_GSID_48841; ONO 2506PO; Arocyte; Ono2506; Acido arundico [INN-Spanish]; 2-Propyloctanoic acid; FR149175
Indication
Disease Entry ICD 11 Status REF
Stroke 8B20 Phase 2/3 [1]
Type-2 diabetes 5A11 Terminated [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 186.29
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H22O2
IUPAC Name
(2R)-2-propyloctanoic acid
Canonical SMILES
CCCCCC[C@@H](CCC)C(=O)O
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKey
YCYMCMYLORLIJX-SNVBAGLBSA-N
Cross-matching ID
PubChem CID
208925
CAS Number
185517-21-9
UNII
F2628ZD0FO
DrugBank ID
DB05343
TTD ID
D00GZW
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor beta-3 (ADRB3) TTMXGCW ADRB3_HUMAN Agonist [3]
S100 calcium-binding protein B (S100B) TTQ0V86 S100B_HUMAN Modulator [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Stroke
ICD Disease Classification 8B20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Adrenergic receptor beta-3 (ADRB3) DTT ADRB3 7.81E-01 0.02 0.16
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00229177) Study of ONO-2506 in Patients With Acute Ischemic Stroke. U.S. National Institutes of Health.
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008959)
3 FR149175, a beta 3-adrenoceptor-selective agonist, is a possible therapeutic agent for non-insulin-dependent diabetes mellitus. Jpn J Pharmacol. 1997 May;74(1):109-12.
4 Arundic acid (ONO-2506) ameliorates delayed ischemic brain damage by preventing astrocytic overproduction of S100B.Curr Drug Targets CNS Neurol Disord.2005 Apr;4(2):127-42.