Drug General Information
Drug ID
DX0UFD
Drug Name
5-{7-[4-(3-carbamoylphenylcarbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]oct-1-ylmethyl]-9-oxo-9H-3-fluorenyl}-1-[1-hydroxy-(1R)-ethyl]-6-methyl-2-oxo-(6aR)-1,2,6,6a-tetrahydroazeto[1,2-a]pyrrole-4-carboxylate chloride
Synonyms
CHEMBL1626956
Indication Discovery agent Investigative [1587926]
Formula
C39H41Cl2N5O7
Canonical SMILES
[Cl-].[Cl-].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)c3ccc4C(=O)c5cc(C[N+]67CC[N+](CC(=O)Nc8cccc(c8)C(=O)N)(CC6)CC7)ccc5c4c3
InChI
InChI=1S/C39H39N5O7.2ClH/c1-21-32(35(39(50)51)42-34(21)33(22(2)45)38(42)49)24-7-9-28-29(18-24)27-8-6-23(16-30(27)36(28)47)19-43-10-13-44(14-11-43,15-12-43)20-31(46)41-26-5-3-4-25(17-26)37(40)48;;/h3-9,16-18,21-22,33-34,45H,10-15,19-20H2,1-2H3,(H2-2,40,41,46,48,50,51);2*1H/t21-,22+,33+,34+,43?,44?;;/m0../s1
InChIKey
VPZCPLMCKNVNII-HEVUKVLQSA-N
Target and Pathway
Target(s) Kinesin-like protein KIF11 Target Info [1587926]
mRNA of kinesin spindle protein Target Info [1587926]
Reactome MHC class II antigen presentation
KinesinsR-HSA-2132295:MHC class II antigen presentation
Kinesins
WikiPathways MHC class II antigen presentation
KinesinsWP2679:MHC class II antigen presentation
Kinesins
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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