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Compound Detail

CHEMBL2443262

OLICERIDINE
💊 Approved Drug
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💊 Approved Drug
COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2443262
Name OLICERIDINE
Phase Approved
Structure Type MOL
InChI Key DMNOVGJWPASQDL-OAQYLSRUSA-N
Therapeutic ✓ Yes

Known Names

Oliceridina Oliceridine Olinvyk Olynvik TRV-130 TRV130
11
Targets
29
Activities
3
Assay Types
14
PK Parameters
20
Publications
6
Known Names
2
Indications
1
Mechanisms

Molecular Properties

386.6
MW (Da)
4.69
ALogP
5
HBA
1
HBD
43.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2020
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Parenteral

Flags

Black Box Warning
USAN Stem -eridine
USAN Year 2015

Extended Properties

Molecular Formula C22H30N2O2S
MW 386.56
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.57

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Mu opioid receptor agonist AGONIST Mu-type opioid receptor ✓ ✓

Indications

Acute Pain Pain

ATC Classification

N02AX07
oliceridine
Level 1: NERVOUS SYSTEM
Level 2: ANALGESICS

Drug Warnings

Black Box Warning
respiratory toxicity
Country: United States
Black Box Warning
misuse
Country: United States

Activity Summary

EC50 15 meas. best 8.74
IC50 8 meas. best 5.34
Ki 6 meas. best 8.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
 Ki 8.84 8.2475 1.5 4
Mu-type opioid receptor
CHEMBL233
 EC50 8.74 8.1214 1.8 7
Mu-type opioid receptor
CHEMBL2858
 EC50 8.62 7.78 2.4 6
Kappa-type opioid receptor
CHEMBL237
 EC50 5.85 5.85 1400.0 1
Delta-type opioid receptor
CHEMBL236
 EC50 5.55 5.55 2800.0 1
Cytochrome P450 2D6
CHEMBL289
 IC50 5.34 5.34 4600.0 1
Sodium channel protein type 5 subunit alpha
CHEMBL1980
 IC50 5.33 5.055 4700.0 2
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 5.26 5.2433 5500.0 3
D(3) dopamine receptor
CHEMBL234
 Ki 5.16 5.16 6860.0 1
Cytochrome P450 3A4
CHEMBL340
 IC50 4.87 4.87 13600.0 1
Voltage-dependent L-type calcium channel subunit alpha-1C
CHEMBL1940
 IC50 4.44 4.44 36000.0 1
D(2) dopamine receptor
CHEMBL217
 Ki 4.08 4.08 83200.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 145.46 ng.hr.mL-1 Rattus norvegicus
AUC 145.86 ng.hr.mL-1 Rattus norvegicus
CL 1114.0 mL.min-1.kg-1 Rattus norvegicus
CL 313.6 mL.min-1.kg-1 Homo sapiens
CL 465.0 mL.min-1.kg-1 Canis lupus familiaris
CL 58.32 mL.min-1.kg-1 Rattus norvegicus
Cmax 643.11 nM Rattus norvegicus
Fu 0.22 - Homo sapiens
Fu 0.36 - Rattus norvegicus
Fu 0.023 - Canis lupus familiaris
MRT 0.82 hr Rattus norvegicus
T1/2 1.21 hr Rattus norvegicus
T1/2 0.1086 hr -
Vd 6.392 L.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mu-type opioid receptor Ki = 1.456 nM 8.84 Displacement of [3H]-Diprenorphine from human mu opiod receptor expressed in CHO... 34802839
Mu-type opioid receptor EC50 = 1.8 nM 8.74 Agonist activity at mu opioid receptor (unknown origin) assessed as increase in ... 34802839
Mu-type opioid receptor EC50 = 2.399 nM 8.62 Partial agonist activity at SNAP-tagged mouse MOR transfected in HEK293T cells c... 37467430
Mu-type opioid receptor EC50 = 2.4 nM 8.62 Partial agonist activity at SNAP-tagged mouse MOR transfected in HEK293T cells c... 37467430
Mu-type opioid receptor EC50 = 3.0 nM 8.52 Detection of MOR cAMP Agonist Activity: The experiment was performed using a cAM... -
Mu-type opioid receptor Ki = 4.38 nM 8.36 Displacement of [3H]-DAMGO from human MOR receptor expressed in HEK293T cell mem... 37467430
Mu-type opioid receptor Ki = 6.0 nM 8.22 Binding affinity to human mu opioid receptor by radio-ligand binding assay 24063433
Mu-type opioid receptor EC50 = 6.7 nM 8.17 Agonist activity at human mu opioid receptor expressed in HEK293 assessed as inc... 34802839
Mu-type opioid receptor EC50 = 8.0 nM 8.1 Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed ... 24063433
Mu-type opioid receptor EC50 = 7.943 nM 8.1 Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed ... 24063433
Mu-type opioid receptor EC50 = 12.0 nM 7.92 Agonist activity at mu opioid receptor (unknown origin) assessed as beta arresti... 34802839
Mu-type opioid receptor Ki = 27.0 nM 7.57 Radioligand Binding Assay: Each compound was initially tested at 20 μM and was i... -
Mu-type opioid receptor EC50 = 32.36 nM 7.49 Partial agonist activity at Rluc8 fused mouse MOR transfected in HEK293T cells c... 37467430
Mu-type opioid receptor EC50 = 32.5 nM 7.49 Partial agonist activity at Rluc8 fused mouse MOR transfected in HEK293T cells c... 37467430
Mu-type opioid receptor EC50 = 50.12 nM 7.3 Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed ... 24063433
Mu-type opioid receptor EC50 = 58.88 nM 7.23 Partial agonist activity at Rluc8 fused mouse MOR transfected in HEK293T cells a... 37467430
Mu-type opioid receptor EC50 = 58.5 nM 7.23 Partial agonist activity at Rluc8 fused mouse MOR transfected in HEK293T cells a... 37467430
Kappa-type opioid receptor EC50 = 1400.0 nM 5.85 Agonist activity at human kappa opioid receptor expressed in HEK293 cells assess... 24063433
Delta-type opioid receptor EC50 = 2800.0 nM 5.55 Agonist activity at human delta opioid receptor expressed in HEK293 cells assess... 24063433
Cytochrome P450 2D6 IC50 = 4600.0 nM 5.34 Inhibition for Cytochrome P450 Isoenzymes: To test the inhibitory effects of the... -

Literature References

PubMed DOI Target Context # Activities
34802839 10.1016/j.ejmech.2021.113986 ADMET 19
37467430 10.1021/acs.jmedchem.3c00417 Mu-type opioid receptor 10
24063433 10.1021/jm4010829 Mu-type opioid receptor 6
34802839 10.1016/j.ejmech.2021.113986 Mu-type opioid receptor 6
24063433 10.1021/jm4010829 Unchecked 6
24063433 10.1021/jm4010829 ADMET 4
24063433 10.1021/jm4010829 Cynomolgus monkey 4
38687204 10.1021/acs.jmedchem.4c00442 ADMET 3
34802839 10.1016/j.ejmech.2021.113986 Rattus norvegicus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
38687204 10.1021/acs.jmedchem.4c00442 Mus musculus 2
24063433 10.1021/jm4010829 Sodium channel protein type 5 subunit alpha 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
24063433 10.1021/jm4010829 Voltage-dependent L-type calcium channel subunit alpha-1C 1
24063433 10.1021/jm4010829 Delta-type opioid receptor 1
24063433 10.1021/jm4010829 Mus musculus 1
24063433 10.1021/jm4010829 Rattus norvegicus 1
34802839 10.1016/j.ejmech.2021.113986 Cytochrome P450 1A2 1
34802839 10.1016/j.ejmech.2021.113986 Cytochrome P450 2C9 1

Data from ChEMBL 36 via Core Engine