Details of the Drug

General Information of Drug (ID: DMEWUPF)

Drug Name
Salmon Calcitonin
Synonyms
Astronin; Biocalcin; Bionocalcin; Cadens; Calciben; Calcihexal; Calcimar; Calcimonta; Calcinil; Calcioton; Calcitonina; Calcitoran; Calco; Calogen; Calsynar; Caltine; Casalm; Catonin; Cibacalcine; Citonina; Eptacalcin; Forcaltonin; Fortical; Ipocalcin; Kalsimin; Karil; Miacalcic; Miacalcin; Miracalcic; Oseototal; Osseocalcina; Osteobion; Osteovis; Ostosalm; Ostostabil; Porostenina; Prontocalcin; Quosten; Riostin; Rulicalcin; Salcat; Salcatonin; Salcatyn; Salmocalcin; Salmofar; Sical; Stalcin; Staporos; Steocin; Tonocalcin; Ucecal; Calcitonin salmon; Calcitonin vom lachs; Calcitonine de saumon; Calsynar Lyo L; Recombinant salmon calcitonin; Salmon calcitonin I; Synthetic salmon calcitonin; CALCITONIN, SALMON; Calcimar (TN); Calcitonin (salmon); Calcitonin salmon (synthesis); Calcitonin, salmar; Calcitonin,salmon; Calcitonin-salmon; Fortical (TN); Isi-calcin; Miacalcin (TN); TZ-CT; Thyrocalcitonin (salmon); Calcitonin salmon (USAN/INN); Calcitonin salmon (synthesis) (JAN); Calcitonin, salmon, for bioassay; Salmon calcitonin (1-32); Calcitonin [USAN:INN:BAN:JAN]; Salmon calcitonin-(I-32)
Indication
Disease Entry ICD 11 Status REF
Bone Paget disease N.A. Approved [1]
Osteoarthritis FA00-FA05 Approved [2]
Osteoporosis FB83.0 Approved [3]
Therapeutic Class
Antiosteporotic Agents
Affected Organisms
Humans and other mammals
ATC Code
H05BA01: Salmon Calcitonin
H05BA: Calcitonin preparations
H05B: ANTI-PARATHYROID AGENTS
H05: CALCIUM HOMEOSTASIS
H: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H05BA01: Salmon Calcitonin
H05BA: Calcitonin preparations
H05B: ANTI-PARATHYROID AGENTS
H05: CALCIUM HOMEOSTASIS
H: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Drug Type
Small molecular drug
Sequence
CSNLSTCVLGKLSQELHKLQTYPRTNTGSGTP
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 3431.9
Logarithm of the Partition Coefficient (xlogp) -16.6
Rotatable Bond Count (rotbonds) 99
Hydrogen Bond Donor Count (hbonddonor) 52
Hydrogen Bond Acceptor Count (hbondacc) 55
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 58 minutes [4]
Metabolism
The drug is metabolized via the kidney []
Vd
The volume of distribution (Vd) of drug is 0.15-0.3 L/kg []
Chemical Identifiers
Formula
C145H240N44O48S2
IUPAC Name
4-[[5-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[22-amino-16-(2-amino-2-oxoethyl)-7-(1-hydroxyethyl)-10,19-bis(hydroxymethyl)-13-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-[[1-[[1-[[6-amino-1-[[1-[[5-amino-1-[[1-[[1-[2-[[1-[[1-[[4-amino-1-[[1-[[2-[[1-[[2-[[1-(2-carbamoylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Canonical SMILES
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)N)C(C)O)CO
InChI
InChI=1S/C145H240N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99-63-239-238-62-79(148)117(210)178-96(59-191)134(227)174-92(52-104(151)202)131(224)172-90(49-69(9)10)129(222)180-98(61-193)135(228)187-114(74(16)197)142(235)181-99)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)
InChIKey
BBBFJLBPOGFECG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16129616
CAS Number
9007-12-9
UNII
7SFC6U2VI5
DrugBank ID
DB00017
TTD ID
D0I1XG
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
Calcitonin receptor (CALCR) TTLWS2O CALCR_HUMAN Binder [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Salmon Calcitonin (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Etelcalcetide DMHP9BL Major Increased risk of hypocalcemia by the combination of Salmon Calcitonin and Etelcalcetide. Hyper-parathyroidism [5A51] [6]

References

1 Calcitonin. 2023 Aug 17. In: StatPearls [Internet]. Treasure Island (FL): StatPearls Publishing; 2024 JanC.
2 Salmon calcitonin: a review of current and future therapeutic indications. Osteoporos Int. 2008 Apr;19(4):479-91.
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: 6973).
4 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5 Improved absorption of salmon calcitonin by ultraflexible liposomes through intranasal delivery. Peptides. 2009 Jul;30(7):1288-95.
6 Cerner Multum, Inc. "UK Summary of Product Characteristics.".