General Information of the Compound
Compound ID
CP0697137
Compound Name
SID49665951
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Synonyms
Erythropoietin
Erythropoietin (second generation, anemia/blood cell mobilization)
Erythropoietin (second generation, anemia/blood cell mobilization), 3SBio
NuPIAO
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Structure
Formula
C22H22ClKN6O
Molecular Weight
461.01
Canonical SMILES
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1.[K+]
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InChI
InChI=1S/C22H22ClN6O.K/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22;/h4-7,9-12,30H,2-3,8,13-14H2,1H3;/q-1;+1
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InChIKey
OXCMYAYHXIHQOA-UHFFFAOYSA-N
CAS
124750-99-8
Physicochemical Property
logP
0.8999
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
90.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 11476710
SID: 12014487
ChEMBL ID
CHEMBL995
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: PT05334, ATP-binding cassette sub-family C member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 34100 nM
   TI
   LI
   LO
   TS
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8530 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Erythropoietin )
Drug Name Erythropoietin
Company 3SBio Inc
Indication
Anemia
Investigative
Target(s)
Erythropoietin Receptor (EPOR)
Stimulator