Details of the Drug

General Information of Drug (ID: DMHP9BL)

Drug Name
Etelcalcetide
Synonyms Velcalcetide; Parsabiv; UNII-60ME133FJB; 1262780-97-1; 60ME133FJB; etelcalcetide HCl; Etelcalcetide [USAN:INN]; Etelcalcetide (USAN/INN); Etelcalcetide Hydrochloride(AMG-416)
Indication
Disease Entry ICD 11 Status REF
Secondary hyperparathyroidism 5A51.1 Approved [1]
Myelodysplastic syndrome 2A37 Phase 3 [2]
Affected Organisms
Humans and other mammals
ATC Code
H05BX04: Etelcalcetide
H05BX: Other anti-parathyroid agents
H05B: ANTI-PARATHYROID AGENTS
H05: CALCIUM HOMEOSTASIS
H: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 1048.3
Logarithm of the Partition Coefficient (xlogp) -10.7
Rotatable Bond Count (rotbonds) 36
Hydrogen Bond Donor Count (hbonddonor) 18
Hydrogen Bond Acceptor Count (hbondacc) 17
ADMET Property
Clearance
The clearance of drug is 7.66 L/h []
Half-life
The concentration or amount of drug in body reduced by one-half in 3 - 4 days [3]
Metabolism
The drug is not metabolised []
Vd
The volume of distribution (Vd) of drug is 796 L []
Chemical Identifiers
Formula
C38H73N21O10S2
IUPAC Name
(2R)-3-[[(2S)-2-acetamido-3-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]disulfanyl]-2-aminopropanoic acid
Canonical SMILES
C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C
InChI
InChI=1S/C38H73N21O10S2/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52)/t18-,19-,21+,22-,23-,24-,25-,26-/m1/s1
InChIKey
ANIAZGVDEUQPRI-ZJQCGQFWSA-N
Cross-matching ID
PubChem CID
71511839
ChEBI ID
CHEMBL134700
CAS Number
1262780-97-1
UNII
60ME133FJB
DrugBank ID
DB12865
TTD ID
D07RYI
ACDINA ID
D01061
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
Extracellular calcium-sensing receptor (CASR) TTBUYHA CASR_HUMAN Modulator [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Secondary hyperparathyroidism
ICD Disease Classification 5A51.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Extracellular calcium-sensing receptor (CASR) DTT CASR 4.50E-02 0.23 4.1
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 Etelcalcetide (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Burosumab DMKUOQV Moderate Increased risk of hypocalcemia by the combination of Etelcalcetide and Burosumab. Vitamin/non-protein cofactor absorption/transport disorder [5C63] [5]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Hydrochloric acid E00015 313 Acidulant
Succinic acid E00044 1110 Buffering agent
Sodium chloride E00077 5234 Diluent; Tonicity agent
Sodium hydroxide E00234 14798 Alkalizing agent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Etelcalcetide 5 mg/ml Injection 5 mg/ml Injection Intravenous
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2018
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031284)
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
5 EMA. European Medicines Agency. European Union "EMA - List of medicines under additional monitoring.".