General Information of the Compound
Compound ID
CP0579302
Compound Name
Azeliragon
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Synonyms
Alzheimer's therapy (RAGE), Transtech/Pfizer
Alzheimer'streatment, TransTech/Pfizer
Alzheimers therapy, TransTech/Pfizer
Diabetic nephropathy therapy, Transtech/Pfizer
PF-04494700
PF-4494700
TTP-488
TTP-488)
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Structure
Formula
C32H38ClN3O2
Molecular Weight
532.128
Canonical SMILES
CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
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InChI
InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
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InChIKey
KJNNWYBAOPXVJY-UHFFFAOYSA-N
CAS
603148-36-3
Physicochemical Property
logP
8.4383
Rotatable Bonds
14
Heavy Atom Count
38
Polar Areas
39.52
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
38

"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: 11180124
SID: 16260376
ChEMBL ID
CHEMBL3989929
DrugBank ID
DB12689
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 < 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 3000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PF-4494700 )
Drug Name PF-4494700
Company Transtech pharma
Indication
Dementia
Phase 3
Alzheimer disease
Phase 3
Target(s)
Advanced glycosylation end product receptor (AGER)
Antagonist