Olorinab

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Olorinab
DrugBank Accession Number
DB14998
Background

Olorinab is under investigation in clinical trial NCT03155945 (Tolerability, Pharmacokinetics, and Efficacy of APD371 in Subjects With Crohn's Disease Experiencing Abdominal Pain).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 357.414
Monoisotopic: 357.180089621
Chemical Formula
C18H23N5O3
Synonyms
  • Olorinab
External IDs
  • APD371

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
ACannabinoid receptor 2
agonist
Humans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
581F7DFA9B
CAS number
1268881-20-4
InChI Key
ACSQLTBPYZSGBA-GMXVVIOVSA-N
InChI
InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1
IUPAC Name
3-[(2S,4S)-7-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-dien-9-yl]pyrazin-1-ium-1-olate
SMILES
CC(C)(C)[C@@H](CO)NC(=O)C1=NN(C2=C1C[C@@H]1C[C@H]21)C1=C[N+]([O-])=CC=N1

References

General References
Not Available
ChemSpider
71061331
PDBe Ligand
KNF
Wikipedia
Olorinab
PDB Entries
8guq

Clinical Trials

Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
2CompletedTreatmentAbdominal Pain / Crohn's Disease (CD)1somestatusstop reasonjust information to hide
2TerminatedTreatmentIrritable Bowel Syndrome (IBS)1somestatusstop reasonjust information to hide
1TerminatedBasic ScienceIrritable Bowel Syndrome (IBS)1somestatusstop reasonjust information to hide

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.375 mg/mLALOGPS
logP0.97ALOGPS
logP-0.074Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)1.41Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area106.98 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity96.97 m3·mol-1Chemaxon
Polarizability38.27 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Agonist
General Function
Heterotrimeric G protein-coupled receptor for endocannabinoid 2-arachidonoylglycerol mediating inhibition of adenylate cyclase. May function in inflammatory response, nociceptive transmission and bone homeostasis
Specific Function
cannabinoid receptor activity
Gene Name
CNR2
Uniprot ID
P34972
Uniprot Name
Cannabinoid receptor 2
Molecular Weight
39680.275 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Drug created at May 20, 2019 14:40 / Updated at August 27, 2024 19:16