Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01296)
Name
Oliceridine
Synonyms    Click to Show/Hide the Synonyms of This API
Oliceridine; TRV130; 1401028-24-7; TRV-130; UNII-MCN858TCP0; MCN858TCP0; [(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethyl})amine; Oliceridine [USAN]; TRV 130; Olinvyk; TRV130A; Olinvo; 6-Oxaspiro(4.5)decane-9-ethanamine, N-((3-methoxy-2-thienyl)methyl)-9-(2-pyridinyl)-, (9R)-; 6-Oxaspiro[4.5]decane-9-ethanamine, N-[(3-methoxy-2-thienyl)methyl]-9-(2-pyridinyl)-, (9R)-; Olinvyk (TN); Oliceridine; TRV-130; Oliceridine (USAN/INN); GTPL7334; CHEMBL2443262; SCHEMBL12542370; BCP14196; EX-A2170; BDBM50493818; ZINC96940334; AKOS030526482; Oliceridine;Olinvo;TRV 130;TRV130; CS-3571; DB14881; NCGC00390659-01; HY-16655; A14337; D11214; Q17142898; [(3-methoxythiophen-2-yl)methyl]({2-[(9r)-9-(pyridine-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethyl})amine; N-((3-methoxythiophen-2-yl)methyl)-2-((9R)-9-(pyridin-2-yl)-6-oxaspiro(4.5)decan-9-yl)ethanamine; N-[(3-methoxythiophen-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
Clinical Status
Approved
PubChem CID
66553195
Formula
C22H30N2O2S
Canonical SMILES
COC1=C(SC=C1)CNCC[C@]2(CCOC3(C2)CCCC3)C4=CC=CC=N4
InChI
1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
InChIKey
DMNOVGJWPASQDL-OAQYLSRUSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=66553195"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 386.6 Topological Polar Surface Area 71.6
XlogP 3.5 Complexity 471
Heavy Atom Count 27 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Full List of Drug Formulations (DFMs) Containing This API
          Oliceridine 1 mg/ml Injection Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Histidine; Mannitol; Water
                   Dosage Form Injection
                   Company Trevena
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [1]
Histidine DIG Info Integral membrane E16 (IC50 = 20000 nM) [2]
References
1 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
2 Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1). J Med Chem. 2018 Aug 23; 61(16):7358-7373.

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