Cavosonstat
PubChem CID
56960912
Structure
Molecular Formula
Synonyms
- Cavosonstat
- 1371587-51-7
- 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid
- Cavosonstat [USAN]
- O2Z8Q22ZE4
Molecular Weight
299.71 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2012-05-14
- Modify:2025-01-11
Description
Cavosonstat is under investigation in clinical trial NCT02589236 (Study of Cavosonstat (N91115) in Patients With CF Homozygous for the F508del-CFTR Mutation).
CAVOSONSTAT is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 3 investigational indications.
Chemical Structure Depiction
3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C16H10ClNO3/c17-13-8-10(16(20)21)1-4-12(13)15-5-2-9-7-11(19)3-6-14(9)18-15/h1-8,19H,(H,20,21)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
BXSZILNGNMDGSL-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC(=C(C=C1C(=O)O)Cl)C2=NC3=C(C=C2)C=C(C=C3)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H10ClNO3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
1371587-51-7
- cavosonstat
- N91115
- Cavosonstat
- 1371587-51-7
- 3-chloro-4-(6-hydroxyquinolin-2-yl)benzoic acid
- Cavosonstat [USAN]
- O2Z8Q22ZE4
- 3-Chloro-4-(6-hydroxy-2-quinolinyl)benzoic acid
- CAVOSONSTAT [INN]
- N91115
- N-91115
- UNII-O2Z8Q22ZE4
- CAVOSONSTAT [WHO-DD]
- Cavosonstat (USAN)
- Benzoic acid, 3-chloro-4-(6-hydroxy-2-quinolinyl)-
- cavosonstatum
- Cavosonstat?
- Cavosonstat (USAN/INN)
- SCHEMBL1289569
- CHEMBL3989910
- BXSZILNGNMDGSL-UHFFFAOYSA-N
- AKOS030527843
- DB14775
- MS-24313
- DB-122661
- HY-109027
- CS-0030541
- D10916
- Q27285248
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
299.71 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
3.7
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
299.0349209 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
299.0349209 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
70.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
392
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=BXSZILNGNMDGSL-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Drug Gene Interaction database (DGIdb)LICENSEThe data used in DGIdb is all open access and where possible made available as raw data dumps in the downloads section.http://www.dgidb.org/downloadsCAVOSONSTAThttps://www.dgidb.org/drugs/ncit:C174782
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useCavosonstathttps://www.drugbank.ca/drugs/DB14775
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- ClinicalTrials.govLICENSEThe ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
- Open TargetsLICENSEDatasets generated by the Open Targets Platform are freely available for download.https://platform-docs.opentargets.org/licence
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- Metabolomics Workbench
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- Therapeutic Target Database (TTD)
- PharmGKBLICENSEPharmGKB data are subject to the Creative Commons Attribution-ShareALike 4.0 license (https://creativecommons.org/licenses/by-sa/4.0/).https://www.pharmgkb.org/page/policies
- Springer Nature
- Wikidatacavosonstathttps://www.wikidata.org/wiki/Q27285248
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlcavosonstathttps://www.ncbi.nlm.nih.gov/mesh/2026086
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 393429309https://pubchem.ncbi.nlm.nih.gov/substance/393429309
CONTENTS