LFF-571
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- LFF-571
- DrugBank Accession Number
- DB13013
- Background
LFF571 has been used in trials studying the treatment of Moderate Clostridium Difficile Infection.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1366.6
Monoisotopic: 1365.299256185 - Chemical Formula
- C60H63N13O13S6
- Synonyms
- Not Available
- External IDs
- J3.333.591A
- LFF571
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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Macrolactams
- Sub Class
- Not Available
- Direct Parent
- Macrolactams
- Alternative Parents
- Beta amino acids and derivatives / Alpha amino acids and derivatives / Thiazolecarboxylic acids and derivatives / 2-heteroaryl carboxamides / 2,4-disubstituted thiazoles / Pyridines and derivatives / Benzene and substituted derivatives / Dicarboxylic acids and derivatives / Imidolactams / Heteroaromatic compounds show 13 more
- Substituents
- 2,4-disubstituted 1,3-thiazole / 2-heteroaryl carboxamide / Alcohol / Alpha-amino acid or derivatives / Aromatic alcohol / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Beta amino acid or derivatives show 26 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- W7AUL2R95Z
- CAS number
- 1160959-55-6
- InChI Key
- GNLYKLDXQZHYTR-LMOGNUDZSA-N
- InChI
- InChI=1S/C60H63N13O13S6/c1-28(2)44-58-72-47(39(92-58)23-85-5)51(80)62-22-42(75)69-48(49(78)30-11-7-6-8-12-30)57-67-38(26-89-57)55-65-36(24-88-55)46-33(53-66-37(25-87-53)50(79)64-35(21-41(74)61-4)56-71-45(29(3)91-56)52(81)70-44)18-19-34(63-46)54-68-40(27-90-54)73(20-10-9-13-43(76)77)60(84)86-32-16-14-31(15-17-32)59(82)83/h6-8,11-12,18-19,24-28,31-32,35,44,48-49,78H,9-10,13-17,20-23H2,1-5H3,(H,61,74)(H,62,80)(H,64,79)(H,69,75)(H,70,81)(H,76,77)(H,82,83)/t31-,32-,35-,44-,48-,49-/m0/s1
- IUPAC Name
- (1r,4r)-4-{[(4-carboxybutyl)({2-[(18S,25S,35S)-35-[(S)-hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[(methylcarbamoyl)methyl]-16,23,30,33-tetraoxo-25-(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1^{2,5}.1^{12,15}.1^{19,22}.1^{26,29}.0^{6,11}]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl})carbamoyl]oxy}cyclohexane-1-carboxylic acid
- SMILES
- CNC(=O)C[C@@H]1NC(=O)C2=CSC(=N2)C2=CC=C(N=C2C2=CSC(=N2)C2=CSC(=N2)[C@@H](NC(=O)CNC(=O)C2=C(COC)SC(=N2)[C@@H](NC(=O)C2=C(C)SC1=N2)C(C)C)[C@@H](O)C1=CC=CC=C1)C1=NC(=CS1)N(CCCCC(O)=O)C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 42638236
- PubChem Substance
- 347829149
- ChemSpider
- 28518090
- ChEMBL
- CHEMBL2063705
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Moderate Clostridium Difficile Infection 1
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 0.0057 mg/mL ALOGPS logP 4.51 ALOGPS logP 7.21 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 3.54 Chemaxon pKa (Strongest Basic) 0.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 20 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 369.33 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 368.25 m3·mol-1 Chemaxon Polarizability 140.59 Å3 Chemaxon Number of Rings 10 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)
Adduct CCS Value (Å2) Source type Source [M-H]- 351.91953 predictedDeepCCS 1.0 (2019) [M+H]+ 353.64328 predictedDeepCCS 1.0 (2019) [M+Na]+ 359.97223 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 02:04 / Updated at June 12, 2020 16:53