OLICERIDINE

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MCN858TCP0

Structure
InChI Key DMNOVGJWPASQDL-OAQYLSRUSA-N
Smile COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30N2O2S
Molecular Weight 386.56
AlogP 4.69
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 43.38
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 4600 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 13600 - - -
Enzyme Transferase
- - - - 17.04
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 3.1-4.52
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 5500-6200 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 36000 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 4700-16500 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
1.8-50.12 - - 1.456-27 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 6860 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1401028-24-7
ChEMBL CHEMBL2443262
DrugBank DB14881
DrugCentral 5406
FDA SRS MCN858TCP0
Guide to Pharmacology 7334
PDB WH2
PubChem 66553195
SureChEMBL SCHEMBL12542370
ZINC ZINC000096940334
CONTENTS