3M-002   

GtoPdb Ligand ID: 9270

Synonyms: CL-075 | CL075
Compound class: Synthetic organic
Comment: 3M-002 is reported as a selective Toll-like receptor 8 agonist, which promotes TNF-α and IL-12 production from human PBMCs [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 80.04
Molecular weight 243.08
XLogP 2.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCc1nc2c(s1)c1ccccc1nc2N
Isomeric SMILES CCCc1nc2c(s1)c1ccccc1nc2N
InChI InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
InChI Key NFYMGJSUKCDVJR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
Synonyms
CL-075 | CL075
Database Links
ChEMBL Ligand CHEMBL512901
GtoPdb PubChem SID 315661345
PubChem CID 10198719
RCSB PDB Ligand L07
Search Google for chemical match using the InChIKey NFYMGJSUKCDVJR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NFYMGJSUKCDVJR
Search UniChem for chemical match using the InChIKey NFYMGJSUKCDVJR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NFYMGJSUKCDVJR

Product suppliers

View disclaimer

Tocris
CL 075
Cat. No. 6142