General Information of the Compound
Compound ID
CP0283441
Compound Name
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
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Synonyms
PF-04878691
PF-4171455
PF-4878691
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Structure
Formula
C17H23N5O2S
Molecular Weight
361.471
Canonical SMILES
CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O
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InChI
InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
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InChIKey
YZOQZEXYFLXNKA-UHFFFAOYSA-N
CAS
532959-63-0
Physicochemical Property
logP
2.0585
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
102.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10309114
SID: 15316821
ChEMBL ID
CHEMBL549344
DrugBank ID
DB12476
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2657 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PF-4878691 )
Drug Name PF-4878691
Company Pfizer Inc
Indication
Melanoma
Phase 2
Hepatitis C virus infection
Phase 1
Target(s)
Toll-like receptor 7 (TLR7)
Agonist