AZ13102909   

GtoPdb Ligand ID: 9577

Synonyms: AZ909
Compound class: Synthetic organic
Comment: AZ13102909 is an inhibitor of the atypical IκB kinase TANK-binding kinase 1 (TBK1) [1-2].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 12
Topological polar surface area 142.23
Molecular weight 543.3
XLogP 4.24
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1)c1ccc(cc1)C1NC2C(=N1)C(=C(C=N2)C(=O)N)NNCCCNC(=O)C1CCCCC1
Isomeric SMILES COc1ccc(cc1)c1ccc(cc1)C1NC2C(=N1)C(=C(C=N2)C(=O)N)NNCCCNC(=O)C1CCCCC1
InChI InChI=1S/C30H37N7O3/c1-40-23-14-12-20(13-15-23)19-8-10-21(11-9-19)28-35-26-25(24(27(31)38)18-33-29(26)36-28)37-34-17-5-16-32-30(39)22-6-3-2-4-7-22/h8-15,18,22,28-29,34,36-37H,2-7,16-17H2,1H3,(H2,31,38)(H,32,39)
InChI Key UMLDEMVOMRDOLS-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
7-{2-[3-(cyclohexylformamido)propyl]hydrazin-1-yl}-2-{4'-methoxy-[1,1'-biphenyl]-4-yl}-2H,3H,3aH-imidazo[4,5-b]pyridine-6-carboxamide
Synonyms
AZ909
Database Links
GtoPdb PubChem SID 336446963
PubChem CID 126970684
Search Google for chemical match using the InChIKey UMLDEMVOMRDOLS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UMLDEMVOMRDOLS
Search UniChem for chemical match using the InChIKey UMLDEMVOMRDOLS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UMLDEMVOMRDOLS