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]
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Therapeutic Class

Antiosteporotic Agents

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
DrugBank ID: DB00017
TTD ID: D0I1XG

Repurposed Drugs (RPD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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]
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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.".