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
DrugBank ID: DB05343
TTD ID: D00GZW

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)

MIA Detail

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)

MEA Detail

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.