tasurgratinib   Click here for help

GtoPdb Ligand ID: 11414

Synonyms: E-7090 | E7090 | Example 22 [WO2014129477A1]
Compound class: Synthetic organic
Comment: The chemical structure for the INN tasurgratinib resolves to E-7090 via PubChem, and is claimed as Example 22 in patent WO2014129477A1 as an inhibitor of FGFR pathway signalling [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 127.18
Molecular weight 587.27
XLogP 2.15
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES COCCOc1cc2c(cc1Oc1ccnc(c1)NC(=O)c1ccc(cc1)C1CCN(CC1)CCO)ccn2C(=O)NC
Isomeric SMILES COCCOc1cc2c(cc1Oc1ccnc(c1)NC(=O)c1ccc(cc1)C1CCN(CC1)CCO)ccn2C(=O)NC
InChI InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)
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
11580 tasurgratinib
Synonyms Click here for help
E-7090 | E7090 | Example 22 [WO2014129477A1]
Database Links Click here for help
BindingDB Ligand 142256
CAS Registry No. 1622204-21-0 (source: WHO INN record)
ChEMBL Ligand CHEMBL3686884
GtoPdb PubChem SID 440816783
PubChem CID 78323434
Search Google for chemical match using the InChIKey IBHOLSBDZMIPPT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IBHOLSBDZMIPPT
Search PubMed clinical trials tasurgratinib
Search PubMed titles tasurgratinib
Search PubMed titles/abstracts tasurgratinib
Search UniChem for chemical match using the InChIKey IBHOLSBDZMIPPT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IBHOLSBDZMIPPT