Olodanrigan
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Olodanrigan
- DrugBank Accession Number
- DB16266
- Background
Olodanrigan is under investigation in clinical trial NCT03297294 (Safety and Efficacy of EMA401 in Patients With Painful Diabetic Neuropathy (PDN)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 507.586
Monoisotopic: 507.204573038 - Chemical Formula
- C32H29NO5
- Synonyms
- Olodanrigan
- External IDs
- EMA-401
- EMA401
- PD-126055
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AType-2 angiotensin II receptor antagonistHumans - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- P0FN522VTO
- CAS number
- 1316755-16-4
- InChI Key
- GHBCIXGRCZIPNQ-MHZLTWQESA-N
- InChI
- InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
- IUPAC Name
- (3S)-5-(benzyloxy)-2-(2,2-diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- SMILES
- COC1=CC=C2CN([C@@H](CC2=C1OCC1=CC=CC=C1)C(O)=O)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 8112918
- BindingDB
- 50049182
- ChEMBL
- CHEMBL34124
- ZINC
- ZINC000001483494
- PDBe Ligand
- VFD
- PDB Entries
- 7jni
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Terminated Treatment Painful Diabetic Neuropathy (PDN) 1 somestatus stop reason just information to hide 2 Terminated Treatment Postherpetic Neuralgia 1 somestatus stop reason just information to hide 2 Withdrawn Treatment Diabetic Neuropathies 1 somestatus stop reason just information to hide 2 Withdrawn Treatment Postherpetic Neuralgia 1 somestatus stop reason just 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
Property Value Source Water Solubility 0.000567 mg/mL ALOGPS logP 5.12 ALOGPS logP 5.79 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 3.7 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 76.07 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 144.94 m3·mol-1 Chemaxon Polarizability 55.48 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
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1. DetailsType-2 angiotensin II receptor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- Receptor for angiotensin II, a vasoconstricting peptide (PubMed:28379944, PubMed:29967536, PubMed:31899086, PubMed:8185599). Signals primarily via a non-canonical G-protein- and beta-arrestin independent pathways (PubMed:28379944). Cooperates with MTUS1 to inhibit ERK2 activation and cell proliferation (PubMed:15123706)
- Specific Function
- angiotensin type II receptor activity
- Gene Name
- AGTR2
- Uniprot ID
- P50052
- Uniprot Name
- Type-2 angiotensin II receptor
- Molecular Weight
- 41183.45 Da
References
- Keppel Hesselink JM, Schatman ME: EMA401: an old antagonist of the AT2R for a new indication in neuropathic pain. J Pain Res. 2017 Feb 20;10:439-443. doi: 10.2147/JPR.S128520. eCollection 2017. [Article]
- Rice ASC, Dworkin RH, McCarthy TD, Anand P, Bountra C, McCloud PI, Hill J, Cutter G, Kitson G, Desem N, Raff M: EMA401, an orally administered highly selective angiotensin II type 2 receptor antagonist, as a novel treatment for postherpetic neuralgia: a randomised, double-blind, placebo-controlled phase 2 clinical trial. Lancet. 2014 May 10;383(9929):1637-1647. doi: 10.1016/S0140-6736(13)62337-5. Epub 2014 Feb 5. [Article]
- Smith MT, Muralidharan A: Targeting angiotensin II type 2 receptor pathways to treat neuropathic pain and inflammatory pain. Expert Opin Ther Targets. 2015 Jan;19(1):25-35. doi: 10.1517/14728222.2014.957673. Epub 2014 Oct 15. [Article]
- 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 December 15, 2020 18:17 / Updated at May 04, 2022 20:28