This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- BIO-11006
- DrugBank Accession Number
- DB14886
- Background
BIO-11006 is under investigation in clinical trial NCT03202394 (Evaluation of Safety & Efficacy of BIO-11006 Inhalation Solution in Patients With ARDS).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for BIO-11006 (DB14886)
- Weight
- Average: 1050.182
Monoisotopic: 1049.550558767 - Chemical Formula
- C46H75N13O15
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
- Kingdom
- Organic compounds
- Super Class
- Organic Polymers
- Class
- Polypeptides
- Sub Class
- Not Available
- Direct Parent
- Polypeptides
- Alternative Parents
- Peptides / Phenylalanine and derivatives / Glutamine and derivatives / N-acyl-L-alpha-amino acids / Serine and derivatives / Alpha amino acid amides / Alanine and derivatives / Amphetamines and derivatives / Medium-chain fatty acids / Amino fatty acids show 14 more
- Substituents
- Acetamide / Alanine or derivatives / Alcohol / Alpha peptide / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Amino fatty acid show 35 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 609AWV0US2
- CAS number
- 901117-03-1
- InChI Key
- KCSNGWMKFYVMKF-HGYIIGRXSA-N
- InChI
- InChI=1S/C46H75N13O15/c1-24(51-36(64)22-50-28(5)62)39(66)54-31(17-18-35(49)63)41(68)57-33(21-29-13-7-6-8-14-29)43(70)58-34(23-60)44(71)55-30(15-9-11-19-47)42(69)59-37(27(4)61)45(72)53-25(2)38(65)52-26(3)40(67)56-32(46(73)74)16-10-12-20-48/h6-8,13-14,24-27,30-34,37,60-61H,9-12,15-23,47-48H2,1-5H3,(H2,49,63)(H,50,62)(H,51,64)(H,52,65)(H,53,72)(H,54,66)(H,55,71)(H,56,67)(H,57,68)(H,58,70)(H,59,69)(H,73,74)/t24-,25-,26-,27+,30-,31-,32-,33-,34-,37-/m0/s1
- IUPAC Name
- (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-acetamidoacetamido)propanamido]butanamido]-3-phenylpropanamido]-3-hydroxypropanamido]hexanamido]-3-hydroxybutanamido]propanamido]propanamido]hexanoic acid
- SMILES
- C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 9796945
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Metastatic Bone Sarcomas / Metastatic Ewing Sarcoma 1 2 Completed Treatment Acute Respiratory Distress Syndrome (ARDS) 1 2 Completed Treatment Chronic Obstructive Pulmonary Disease (COPD) 1 2 Completed Treatment Stage IIIB Non-Small Cell Lung Cancer 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 0.0404 mg/mL ALOGPS logP -3 ALOGPS logP -10 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 3.66 Chemaxon pKa (Strongest Basic) 10.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 17 Chemaxon Hydrogen Donor Count 16 Chemaxon Polar Surface Area 463.89 Å2 Chemaxon Rotatable Bond Count 35 Chemaxon Refractivity 260.49 m3·mol-1 Chemaxon Polarizability 107.51 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:32 / Updated at June 12, 2020 16:53