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]
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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

Repurposed Drugs (RPD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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

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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.