Ala-geninthiocin
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Identification
- Generic Name
- Ala-geninthiocin
- DrugBank Accession Number
- DB15657
- Background
Ala-geninthiocin is a novel thiopeptide antibacterial compound derived from marine Streptomyces species.1 It has exhibited potent in vitro activity against gram-positive bacteria including Staphylococcus aureus, Bacillus subtilis, Mycobacterium smegmatis, and Micrococcus luteus.1
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 1134.11
Monoisotopic: 1133.340977176 - Chemical Formula
- C50H51N15O15S
- Synonyms
- Not Available
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
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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 softwareAcenocoumarol The risk or severity of bleeding can be increased when Ala-geninthiocin is combined with Acenocoumarol. Ambroxol The risk or severity of methemoglobinemia can be increased when Ala-geninthiocin is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Ala-geninthiocin is combined with Articaine. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Ala-geninthiocin. Benzocaine The risk or severity of methemoglobinemia can be increased when Ala-geninthiocin is combined with Benzocaine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- BBBBJIKNQHYHNP-LIDBZPKISA-N
- InChI
- InChI=1S/C50H51N15O15S/c1-12-27-48-61-30(16-79-48)41(72)54-21(5)39(70)65-35(50(10,11)77)45(76)57-23(7)47-64-33(25(9)80-47)44(75)55-20(4)38(69)56-22(6)46-60-29(15-78-46)34-26(49-62-31(17-81-49)42(73)63-32(24(8)66)43(74)59-27)13-14-28(58-34)40(71)53-19(3)37(68)52-18(2)36(51)67/h12-18,24,32,35,66,77H,3-7H2,1-2,8-11H3,(H2,51,67)(H,52,68)(H,53,71)(H,54,72)(H,55,75)(H,56,69)(H,57,76)(H,59,74)(H,63,73)(H,65,70)/b27-12-/t18-,24-,32-,35+/m0/s1
- IUPAC Name
- N-[(1S)-1-carbamoylethyl]-2-{[(14S,17Z,27S)-17-ethylidene-14-[(1S)-1-hydroxyethyl]-27-(2-hydroxypropan-2-yl)-33-methyl-24,30,37,40-tetramethylidene-12,15,22,25,28,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecaazahexacyclo[39.2.1.1^{8,11}.1^{18,21}.1^{31,34}.0^{2,7}]heptatetraconta-1(43),2,4,6,8(47),10,18(46),20,31(45),33,41(44)-undecaen-4-yl]formamido}prop-2-enamide
- SMILES
- C\C=C1/NC(=O)[C@@H](NC(=O)C2=CSC(=N2)C2=CC=C(N=C2C2=COC(=N2)C(=C)NC(=O)C(=C)NC(=O)C2=C(C)OC(=N2)C(=C)NC(=O)[C@@H](NC(=O)C(=C)NC(=O)C2=COC1=N2)C(C)(C)O)C(=O)NC(=C)C(=O)N[C@@H](C)C(N)=O)[C@H](C)O
References
- General References
- Iniyan AM, Sudarman E, Wink J, Kannan RR, Vincent SGP: Ala-geninthiocin, a new broad spectrum thiopeptide antibiotic, produced by a marine Streptomyces sp. ICN19. J Antibiot (Tokyo). 2019 Feb;72(2):99-105. doi: 10.1038/s41429-018-0115-2. Epub 2018 Oct 24. [Article]
- External Links
- ChemSpider
- 71116011
Clinical Trials
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 Water Solubility 0.0146 mg/mL ALOGPS logP 2.66 ALOGPS logP -3.5 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 10.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 17 Chemaxon Hydrogen Donor Count 12 Chemaxon Polar Surface Area 449.32 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 293.17 m3·mol-1 Chemaxon Polarizability 110.49 Å3 Chemaxon Number of Rings 6 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at April 01, 2020 20:01 / Updated at June 12, 2020 16:53