Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01061)
Name
Etelcalcetide
Synonyms    Click to Show/Hide the Synonyms of This API
etelcalcetide; Velcalcetide; 1262780-97-1; KAI-4169; UNII-60ME133FJB; AMG-416; AMG 416; 60ME133FJB; 1262780-97-1 (free base); D-Argininamide, N-acetyl-D-cysteinyl-D-alanyl-D-arginyl-D-arginyl-D-arginyl-D-alanyl-, disulfide with L-cysteine; Parsabiv; Etelcalcetide [USAN:INN]; KAI 4169; Amg416; Etelcalcetide (USAN/INN); CHEMBL3545184; SCHEMBL21982605; DTXSID70155132; CHEBI:134700; HY-P1955; ONO-5163; Etelcalcetide Hydrochloride(AMG-416); DB12865; BS-14875; CS-0030931; J3.559.823E; D10676; Q21098973; (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; S-(((S)-2-acetamido-3-(((R)-1-(((R)-1-(((R)-1-(((R)-1-(((R)-1-(((R)-1-amino-5-guanidino-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)amino)-3-oxopropyl)thio)-L-cysteine
Clinical Status
Approved
PubChem CID
71511839
Formula
C38H73N21O10S2
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
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
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=71511839"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 1048.3 Topological Polar Surface Area 618
XlogP -10.7 Complexity 1910
Heavy Atom Count 71 Rotatable Bond Count 36
Hydrogen Bond Donor Count 18 Hydrogen Bond Acceptor Count 17
Full List of Drug Formulations (DFMs) Containing This API
          Etelcalcetide 5 mg/ml Injection Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Sodium Chloride; Succinic Acid; Sodium Hydroxide; Hydrochloric Acid
                   Dosage Form Injection
                   Company Amgen
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Succinic acid DIG Info HIF-prolyl hydroxylase 2 (IC50 = 3000 nM) [1]
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [2]
References
1 Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases. J Med Chem. 2008 Nov 27; 51(22):7053-6.
2 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.

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