Details of the Drug

General Information of Drug (ID: DM3R8YL)

Drug Name
Erythropoietin
Synonyms NuPIAO; Erythropoietin (second generation, anemia/blood cell mobilization); Erythropoietin (second generation, anemia/blood cell mobilization), 3SBio
Indication
Disease Entry ICD 11 Status REF
Periventricular leukomalacia N.A. Approved [1]
Traumatic brain injury NA07.Z Approved [2]
Anemia 3A00-3A9Z Investigative [3]
Affected Organisms
Humans and other mammals
ATC Code
B03XA01: Erythropoietin
B03XA: Other antianemic preparations
B03X: OTHER ANTIANEMIC PREPARATIONS
B03: ANTIANEMIC PREPARATIONS
B: BLOOD AND BLOOD FORMING ORGANS
Sequence
APPRLICDSRVLERYLLEAKEAENITTGCAEHCSLNENITVPDTKVNFYAWKRMEVGQQA
VEVWQGLALLSEAVLRGQALLVNSSQPWEPLQLHVDKAVSGLRSLTTLLRALGAQKEAIS
PPDAASAAPLRTITADTFRKLFRVYSNFLRGKLKLYTGEACRTGDR
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 461
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
ADMET Property
Clearance
The total body clearance of drug is 8.12 +/- 1.00 mL/h/kg [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 4 - 13 hours []
Metabolism
The drug is metabolized via the reticuloendothelial scavenging pathway or lymphatic system [5]
Vd
The volume of distribution (Vd) of drug is 0.04-0.0638 L/kg [5]
Chemical Identifiers
Formula
C22H22ClKN6O
IUPAC Name
potassium;[2-butyl-5-chloro-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
Canonical SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4)CO)Cl.[K+]
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
InChIKey
OXCMYAYHXIHQOA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11751549
ChEBI ID
CHEMBL995
CAS Number
124750-99-8
UNII
64FS3BFH5W
DrugBank ID
DB00016
TTD ID
D0G5JW
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Erythropoietin Receptor (EPOR) TTAUX24 EPOR_HUMAN Stimulator [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Albumin (ALB) OTVMM513 ALBU_HUMAN Protein Interaction/Cellular Processes [7]
Bile salt export pump (ABCB11) OTRU7THO ABCBB_HUMAN Gene/Protein Processing [8]
Endoglin (ENG) OTL2LSMI EGLN_HUMAN Gene/Protein Processing [9]
Nuclear respiratory factor 1 (NRF1) OTOXWNV8 NRF1_HUMAN Gene/Protein Processing [10]
Protein AMBP (AMBP) OTLU8GU8 AMBP_HUMAN Gene/Protein Processing [11]
Renin (REN) OT52GZR2 RENI_HUMAN Gene/Protein Processing [12]
Solute carrier family 22 member 12 (SLC22A12) OT72ZAWS S22AC_HUMAN Gene/Protein Processing [13]
Superoxide dismutase , mitochondrial (SOD2) OTIWXGZ9 SODM_HUMAN Gene/Protein Processing [10]
Transforming growth factor beta-1 proprotein (TGFB1) OTV5XHVH TGFB1_HUMAN Gene/Protein Processing [9]
Vascular endothelial growth factor A, long form OTIM9MZ3 VEGFA_HUMAN Gene/Protein Processing [14]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Periventricular leukomalacia
ICD Disease Classification
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Erythropoietin Receptor (EPOR) DTT EPOR 7.04E-01 0.11 0.27
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Erythropoietin (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Carfilzomib DM48K0X Major Additive thrombogenic effects by the combination of Erythropoietin and Carfilzomib. Multiple myeloma [2A83] [15]

References

1 Neuroprotective potential of erythropoietin and its derivative carbamylated erythropoietin in periventricular leukomalacia. Exp Neurol. 2011 Aug;230(2):227-39.
2 Microglial polarization in TBI: Signaling pathways and influencing pharmaceuticals. Front Aging Neurosci. 2022 Aug 1;14:901117.
3 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4921).
4 Halstenson CE, Macres M, Katz SA, Schnieders JR, Watanabe M, Sobota JT, Abraham PA: Comparative pharmacokinetics and pharmacodynamics of epoetin alfa and epoetin beta. Clin Pharmacol Ther. 1991 Dec;50(6):702-12.
5 Dymond AW, Howes C, Pattison C, So K, Mariani G, Savage M, Mair S, Ford G, Martin P: Metabolism, Excretion, and Pharmacokinetics of Selumetinib, an MEK1/2 inhibitor, in Healthy Adult Male Subjects. Clin Ther. 2016 Nov;38(11):2447-2458. doi: 10.1016/j.clinthera.2016.09.002. Epub 2016 Oct 15.
6 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1718).
7 Investigation into the interaction of losartan with human serum albumin and glycated human serum albumin by spectroscopic and molecular dynamics simulation techniques: A comparison study. Chem Biol Interact. 2016 Sep 25;257:4-13. doi: 10.1016/j.cbi.2016.07.025. Epub 2016 Jul 25.
8 A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci. 2013 Nov;136(1):216-41.
9 Raloxifene and n-Acetylcysteine Ameliorate TGF-Signalling in Fibroblasts from Patients with Recessive Dominant Epidermolysis Bullosa. Cells. 2020 Sep 16;9(9):2108. doi: 10.3390/cells9092108.
10 Erythropoietin activates SIRT1 to protect human cardiomyocytes against doxorubicin-induced mitochondrial dysfunction and toxicity. Toxicol Lett. 2017 Jun 5;275:28-38. doi: 10.1016/j.toxlet.2017.04.018. Epub 2017 Apr 27.
11 Low-dose dual blockade of the renin-angiotensin system improves tubular status in non-diabetic proteinuric patients. Scand J Urol Nephrol. 2005;39(6):511-7. doi: 10.1080/00365590510031264.
12 Hemodynamic and neurohumoral effects of the angiotensin II antagonist losartan in patients with heart failure. J Hypertens Suppl. 1994 Jul;12(2):S31-5.
13 Effect of losartan and benzbromarone on the level of human urate transporter 1 mRNA. Arzneimittelforschung. 2010;60(4):186-8. doi: 10.1055/s-0031-1296271.
14 Inhibition of the renin-angiotensin system downregulates tissue factor and vascular endothelial growth factor in human breast carcinoma cells. Thromb Res. 2012 Jun;129(6):736-42. doi: 10.1016/j.thromres.2011.11.047. Epub 2011 Dec 19.
15 Product Information. Kyprolis (carfilzomib). Onyx Pharmaceuticals Inc, South San Francisco, CA.