etelcalcetide   Click here for help

GtoPdb Ligand ID: 8375

Synonyms: AMG 416 | AMG-416 | KAI-4169 | Parsabiv® | velcalcetide
Approved drug
etelcalcetide is an approved drug (EMA (2016), FDA (2017))
Comment: Etelcalcetide is a novel calcimimetic, peptidic agonist of the human cell surface calcium-sensing receptor (CaSR) [1]. The chemical structure shown here was generated using the SMILES from PubChem CID 71511839.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NC(=NCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CCCN=C(N)N)C)CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CSSC[C@@H](C(=O)O)N)C)CCCN=C(N)N)N
Isomeric 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
InChI Key ANIAZGVDEUQPRI-ZJQCGQFWSA-N
Classification Click here for help
Compound class Peptide or derivative
Approved drug? Yes (EMA (2016), FDA (2017))
International Nonproprietary Names Click here for help
INN number INN
9809 etelcalcetide
Synonyms Click here for help
AMG 416 | AMG-416 | KAI-4169 | Parsabiv® | velcalcetide
Database Links Click here for help
ChEMBL Ligand CHEMBL3545184
DrugBank Ligand DB12865
GtoPdb PubChem SID 252166587
PubChem CID 71511839
Search Google for chemical match using the InChIKey ANIAZGVDEUQPRI-ZJQCGQFWSA-N
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Search UniChem for chemical match using the InChIKey ANIAZGVDEUQPRI-ZJQCGQFWSA-N
Search UniChem for chemicals with the same backbone ANIAZGVDEUQPRI