This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Bleomycin A6
- DrugBank Accession Number
- DB12992
- Background
Bleomycin A6 (also known as boanmycin) has been used in trials studying the treatment of Squamous Cell Lung Cancer. It was developed in China as an antineoplastic antibiotic. This drug participated in clinical trials for the treatment of Squamous Cell Lung Cancer. It was shown that besides the antitumor effect, Bleomycin A6 had the ability to alter the tumor microenvironment and could contribute toward lung cancer relapse and metastasis on long-term treatment. The development of this drug, apparently, was discontinued.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Bleomycin A6 (DB12992)
- Weight
- Average: 1497.67
Monoisotopic: 1496.650032539 - Chemical Formula
- C60H96N20O21S2
- Synonyms
- Boanmycin
- Pingyangmycin A6
- Zhengguangmycin A6
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0B19OCB220
- CAS number
- 37293-17-7
- InChI Key
- FOUFFVYWFNBHHH-YNGSZULRSA-N
- InChI
- InChI=1S/C60H96N20O21S2/c1-25-38(77-51(80-49(25)64)30(17-36(63)84)72-18-29(62)50(65)90)55(94)79-40(46(31-19-69-24-73-31)99-59-48(44(88)42(86)34(20-81)98-59)100-58-45(89)47(101-60(66)96)43(87)35(21-82)97-58)56(95)74-27(3)41(85)26(2)52(91)78-39(28(4)83)54(93)71-16-9-37-75-33(23-102-37)57-76-32(22-103-57)53(92)70-15-8-14-68-12-6-5-11-67-13-7-10-61/h19,22-24,26-30,34-35,39-48,58-59,67-68,72,81-83,85-89H,5-18,20-21,61-62H2,1-4H3,(H2,63,84)(H2,65,90)(H2,66,96)(H,69,73)(H,70,92)(H,71,93)(H,74,95)(H,78,91)(H,79,94)(H2,64,77,80)/t26-,27+,28+,29-,30-,34-,35+,39-,40-,41-,42+,43+,44-,45-,46-,47-,48-,58+,59-/m0/s1
- IUPAC Name
- (2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-({6-amino-2-[(1S)-1-{[(2S)-2-amino-2-carbamoylethyl]amino}-2-carbamoylethyl]-5-methylpyrimidin-4-yl}formamido)-2-{[(2R,3S,4S)-4-{[(1S,2R)-1-({2-[4-(4-{[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]carbamoyl}-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}-3-hydroxy-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-5-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate
- SMILES
- [H][C@]1(O[C@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@H]2O[C@H]([C@H](NC(=O)C2=NC(=NC(N)=C2C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC2=NC(=CS2)C2=NC(=CS2)C(=O)NCCCNCCCCNCCCN)C2=CN=CN2)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O
References
- General References
- Not Available
- External Links
- PubChem Substance
- 347911414
- ChemSpider
- 8052906
- ChEMBL
- CHEMBL1231529
- PDBe Ligand
- BY6
- PDB Entries
- 2zhp
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Unknown Status Treatment Squamous 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 0.0419 mg/mL ALOGPS logP -0.89 ALOGPS logP -11 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 11.49 Chemaxon pKa (Strongest Basic) 10.72 Chemaxon Physiological Charge 5 Chemaxon Hydrogen Acceptor Count 31 Chemaxon Hydrogen Donor Count 23 Chemaxon Polar Surface Area 677.15 Å2 Chemaxon Rotatable Bond Count 44 Chemaxon Refractivity 371.45 m3·mol-1 Chemaxon Polarizability 152.41 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 October 21, 2016 01:50 / Updated at May 14, 2021 01:06