Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1775)
Drug Name
TRV-130
Synonyms
Oliceridine; Oliceridine (USAN/INN); Oliceridine [USAN]; MCN858TCP0; Olinvo; TRV 130; TRV-130; TRV130; TRV130A; ZINC96940334; 1401028-24-7; 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)-; BCP14196; CHEMBL2443262; EX-A2170; GTPL7334; SCHEMBL12542370; UNII-MCN858TCP0; [(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethyl})amine
Indication Hypothyroidism [ICD11: 5A00] Phase 1/2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 386.6 Topological Polar Surface Area 71.6
Heavy Atom Count 27 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
66553195
PubChem SID
152159759 ; 174525413 ; 178103906 ; 237602152 ; 252163523
CAS Number
1401028-24-7
TTD Drug ID
D06ENM
Formula
C22H30N2O2S
Canonical SMILES
COC1=C(SC=C1)CNCCC2(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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Oxy-oliceridine DM005759 N. A. Oxidation - Oxidationn 1 [2]
TRV0109662 DM005761
68314401
Oxidation - N-dealkylation 1 [2]
TRV0306954 DM005760
154925742
Conjugation - Glucuronidation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006150 TRV-130 Oxy-oliceridine Oxidation - Oxidationn CYP3A4 ... [2]
MR006152 TRV-130 TRV0109662 Oxidation - N-dealkylation CYP3A4 ... [2]
MR006151 Oxy-oliceridine TRV0306954 Conjugation - Glucuronidation Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 A G protein-biased ligand at the ?-opioid receptor is potently analgesic with reduced gastrointestinal and respiratory dysfunction compared with morphine. J Pharmacol Exp Ther. 2013 Mar;344(3):708-17.
2 The Utilization of Mu-Opioid Receptor Biased Agonists: Oliceridine, an Opioid Analgesic with Reduced Adverse Effects
3 First clinical experience with TRV130: pharmacokinetics and pharmacodynamics in healthy volunteers. J Clin Pharmacol. 2014 Mar;54(3):351-7.

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