UCSF

ZINC28572103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 23 Yes

Popular Name: 1-(4-Amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol 1-(4-Amino-2-(ethoxymethyl)-1H-i…

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CAS Numbers: 144875-48-9 , [144875-48-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 3.34 -14.18 3 6 0 86 314.389 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 166° Oakwood Chemical
Purity 95% Fluorochem
Patent Database Links EP1403269; EP1889609; EP1891953; US2005004144; US2005266024; WO2005016235; WO2006079644; WO2006079645; WO2006084869; WO2006084904; WO2006097474; WO2006105979; WO2006125813; WO2006125815; WO2007096393; WO2007096395; WO2007133800 ChEBI
UniProt Database Links IKBZ_MOUSE ChEBI
Reactome Database Links REACT_24948; REACT_24953; REACT_24964; REACT_24966; REACT_25001; REACT_25002; REACT_25011; REACT_25086; REACT_25090; REACT_25150; REACT_25184; REACT_25251; REACT_25312; REACT_25392; REACT_9012 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TLR7-1-E Toll-like Receptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 260 0.40 Functional ≤ 10μM
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 27 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50643 Z50643 Hepatitis C Virus 24 0.46 Functional ≤ 10μM
TLR7_HUMAN Q9NYK1 Toll-like Receptor 7, Human 260.1 0.40 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
MyD88 dependent cascade initiated on endosome
MyD88-dependent cascade initiated on endosome membrane
NFkB and MAPK activation mediated by TRAF6 upon TLR7 or TLR21 stimulation
TLR7 cascade
Toll Like Receptor 7/8 (TLR7/8) Cascade
TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation
TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling

Reactome Annotations from Targets (via Uniprot)

Description Species
MyD88 dependent cascade initiated on endosome
Toll Like Receptor 7/8 (TLR7/8) Cascade
TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation
TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling
Trafficking and processing of endosomal TLR

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.