tinengotinib   Click here for help

GtoPdb Ligand ID: 11887

Synonyms: Example 6 [US10889586B2] | TT-00420 | TT00420
PDB Ligand
Compound class: Synthetic organic
Comment: The chemical structure for tinengotinib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a tyrosine kinase inhibitor and antineoplastic agent. The SMILES provided a match to TransThera Sciences' clinical lead TT-00420 via PubChem. TT-00420 appears to be an orally administered multi‐kinase inhibitor that targets cell proliferation, angiogenesis, and immune-oncology, through inhibition of Aurora kinases A/B and Janus kinases (involved in cytokine signalling) and receptor tyrosine kinases such as FGFRs and VEGFRs (which play roles in proliferation and angiogenesis) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 82.72
Molecular weight 394.13
XLogP 5.43
No. Lipinski's rules broken 1
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Canonical SMILES Clc1ccccc1c1nc2c(C)n[nH]c2[nH]c2c1cnc(c2)N1CCOCC1
Isomeric SMILES Clc1c(cccc1)c1c2c([nH]c3c(n1)c(n[nH]3)C)cc(nc2)N1CCOCC1
InChI InChI=1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11991 tinengotinib
Synonyms Click here for help
Example 6 [US10889586B2] | TT-00420 | TT00420
Database Links Click here for help
CAS Registry No. 2230490-29-4 (source: WHO INN record)
GtoPdb PubChem SID 461663443
PubChem CID 137279257
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UniChem Compound Search for chemical match using the InChIKey DQFCVOOFMXEPOC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DQFCVOOFMXEPOC-UHFFFAOYSA-N