ansornitinib   Click here for help

GtoPdb Ligand ID: 12086

Synonyms: ANG-3070 | ANG3070 | Example 1 [WO2013112959A1]
Compound class: Synthetic organic
Comment: We obtained the chemical structure for ansornitinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase kinase inhibitor. Ansornitinib may be ANG-3070, an oral tyrosine kinase inhibitor that was developed by Angion Biomedica for anti-fibrotic potential in kidney diseases, such as focal segmental glomerulosclerosis and immunoglobulin A nephropathy. Clinical trial of ANG-3070 was terminated in June 2022, following an unexpected and dangerous decline in kidney function in a patient who received the drug treatment. Development for idiopathic pulmonary fibrosis appears to be continuing.

ansornitinib is commercially available from our sponsors

2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
Physico-chemical Properties
Click here for help

Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

✖
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 107.11
Molecular weight 540.25
XLogP 2.7
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

✖
Canonical SMILES COC(=O)c1ccc2c(n1)NC(=O)/C/2=C(/c1ccccc1)\Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C
Isomeric SMILES CN(C(=O)CN1CCN(CC1)C)c1ccc(N/C(=C/2\C(=O)Nc3nc(ccc23)C(=O)OC)/c2ccccc2)cc1
InChI InChI=1S/C30H32N6O4/c1-34-15-17-36(18-16-34)19-25(37)35(2)22-11-9-21(10-12-22)31-27(20-7-5-4-6-8-20)26-23-13-14-24(30(39)40-3)32-28(23)33-29(26)38/h4-14,31H,15-19H2,1-3H3,(H,32,33,38)/b27-26-
InChI Key OABALTWKAJWHEA-RQZHXJHFSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxylate
International Nonproprietary Names Click here for help
INN number INN
12287 ansornitinib
Synonyms Click here for help
ANG-3070 | ANG3070 | Example 1 [WO2013112959A1]
Database Links Click here for help
CAS Registry No. 1448874-96-1 (source: WHO INN record)
GtoPdb PubChem SID 472319208
PubChem CID 136234633
Search Google for chemical match using the InChIKey OABALTWKAJWHEA-RQZHXJHFSA-N
Search Google for chemicals with the same backbone OABALTWKAJWHEA
Search PubMed clinical trials ansornitinib
Search PubMed titles ansornitinib
Search PubMed titles/abstracts ansornitinib
UniChem Compound Search for chemical match using the InChIKey OABALTWKAJWHEA-RQZHXJHFSA-N
UniChem Connectivity Search for chemical match using the InChIKey OABALTWKAJWHEA-RQZHXJHFSA-N

Product suppliers

View disclaimer

Sponsored products disclaimer

Product supplier links are provided as a service to assist in identifying commercial suppliers of reagents that are mentioned on the IUPHAR/BPS Guide to PHARMACOLOGY database website, and do not imply their endorsement by NC-IUPHAR.

Links are provided in return for sponsorship, used to fund improvements to this database. The sponsorship account is managed and audited by the University of Edinburgh, a charitable body registered in Scotland, SC005336. If you are interested in sponsoring the database, please contact us.

✖

MedChemExpress
Ansornitinib (links to external site)
Cat. No. HY-147243