Elcatonin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name

Elcatonin

DrugBank Accession Number

DB13742

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

Similar Structures

Weight: Average: 3363.827
Monoisotopic: 3361.799403165
Chemical Formula: C₁₄₈H₂₄₄N₄₂O₄₇

Synonyms

Elcatonin
Elcatonina

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Pharmacology

Indication: Not Available
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Pharmacodynamics: Not Available
Mechanism of action: Not Available
Absorption: Not Available
Volume of distribution: Not Available
Protein binding: Not Available
Metabolism: Not Available
Route of elimination: Not Available
Half-life: Not Available
Clearance: Not Available
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Toxicity: Not Available
Pathways: Not Available
Pharmacogenomic Effects/ADRs: Not Available

Interactions

Drug Interactions

This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

Drug	Interaction
Integrate drug-drug interactions in your software
Acalabrutinib	The therapeutic efficacy of Elcatonin can be decreased when used in combination with Acalabrutinib.
Acebutolol	The risk or severity of adverse effects can be increased when Acebutolol is combined with Elcatonin.
Acetohexamide	The therapeutic efficacy of Acetohexamide can be decreased when used in combination with Elcatonin.
Afatinib	The therapeutic efficacy of Elcatonin can be decreased when used in combination with Afatinib.
Aldesleukin	The therapeutic efficacy of Elcatonin can be decreased when used in combination with Aldesleukin.

Food Interactions

Not Available

Chemical Identifiers

UNII: W0CMS474JK
CAS number: 60731-46-6
InChI Key: JYSJVJJVLNYRKL-UHFFFAOYSA-N
InChI: InChI=1S/C148H244N42O47/c1-69(2)52-92(178-142(231)115(75(13)14)185-128(217)87-30-21-20-22-36-113(208)237-67-84(151)122(211)172-98(59-107(154)200)136(225)176-96(56-73(9)10)134(223)182-102(66-192)139(228)188-116(77(16)193)143(232)171-87)123(212)161-63-109(202)165-85(31-23-25-47-149)124(213)173-95(55-72(7)8)133(222)181-101(65-191)138(227)169-89(41-44-105(152)198)126(215)167-91(43-46-111(204)205)127(216)175-94(54-71(5)6)132(221)177-97(58-82-61-158-68-163-82)135(224)166-86(32-24-26-48-150)125(214)174-93(53-70(3)4)131(220)168-90(42-45-106(153)199)130(219)187-118(79(18)195)145(234)180-100(57-81-37-39-83(197)40-38-81)146(235)190-51-29-35-104(190)140(229)170-88(33-27-49-159-148(156)157)129(218)186-117(78(17)194)144(233)179-99(60-112(206)207)137(226)184-114(74(11)12)141(230)162-62-108(201)164-76(15)121(210)160-64-110(203)183-119(80(19)196)147(236)189-50-28-34-103(189)120(155)209/h37-40,61,68-80,84-104,114-119,191-197H,20-36,41-60,62-67,149-151H2,1-19H3,(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,209)(H,158,163)(H,160,210)(H,161,212)(H,162,230)(H,164,201)(H,165,202)(H,166,224)(H,167,215)(H,168,220)(H,169,227)(H,170,229)(H,171,232)(H,172,211)(H,173,213)(H,174,214)(H,175,216)(H,176,225)(H,177,221)(H,178,231)(H,179,233)(H,180,234)(H,181,222)(H,182,223)(H,183,203)(H,184,226)(H,185,217)(H,186,218)(H,187,219)(H,188,228)(H,204,205)(H,206,207)(H4,156,157,159)
IUPAC Name: 4-[(1-{[1-({5-amino-1-[(1-{[1-({1-[(1-{2-[(4-carbamimidamido-1-{[1-({1-[(1-{[({1-[({[1-(2-carbamoylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]ethyl}carbamoyl)methyl]carbamoyl}-2-methylpropyl)carbamoyl]-2-carboxyethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}butyl)carbamoyl]pyrrolidin-1-yl}-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl]-2-hydroxypropyl}carbamoyl)-3-carbamoylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]pentyl}carbamoyl)-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-3-methylbutyl)carbamoyl]-4-(2-{2-[2-(6-amino-2-{2-[2-(2-{[3-amino-6-(carbamoylmethyl)-15-(1-hydroxyethyl)-12-(hydroxymethyl)-9-(2-methylpropyl)-4,7,10,13,16,24-hexaoxo-1-oxa-5,8,11,14,17-pentaazacyclotetracosan-18-yl]formamido}-3-methylbutanamido)-4-methylpentanamido]acetamido}hexanamido)-4-methylpentanamido]-3-hydroxypropanamido}-4-carbamoylbutanamido)butanoic acid
SMILES: [H]OC(=O)C([H])([H])C([H])([H])C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C1([H])N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])(O[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])[H])C([H])(O[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)O[H])C([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]

References

General References

Not Available

External Links

Human Metabolome Database: HMDB0249631
ChemSpider: 26464034
Wikipedia: Elcatonin

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
logP	-25	Chemaxon
pKa (Strongest Acidic)	3.33	Chemaxon
pKa (Strongest Basic)	11.87	Chemaxon
Physiological Charge	2	Chemaxon
Hydrogen Acceptor Count	53	Chemaxon
Hydrogen Donor Count	48	Chemaxon
Polar Surface Area	1438.93 Å²	Chemaxon
Rotatable Bond Count	96	Chemaxon
Refractivity	841.2 m³·mol^-1	Chemaxon
Polarizability	343.17 Å³	Chemaxon
Number of Rings	5	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST): Not Available
Spectra: Not Available
Chromatographic Properties: Collision Cross Sections (CCS)
Not Available

Drug created at June 23, 2017 20:47 / Updated at December 01, 2022 11:28

Elcatonin

Identification

Structure for Elcatonin (DB13742)

Pharmacology

Interactions

Categories

Chemical Identifiers

References

Clinical Trials

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)