Rebeccamycin
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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
- Rebeccamycin
- DrugBank Accession Number
- DB14729
- Background
Rebeccamycin is a weak topoisomerase I inhibitor isolated from Nocardia sp.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 570.38
Monoisotopic: 569.0756554 - Chemical Formula
- C27H21Cl2N3O7
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Y96MQM21V9
- CAS number
- 93908-02-2
- InChI Key
- QEHOIJJIZXRMAN-QZQSLCQPSA-N
- InChI
- InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1
- IUPAC Name
- 5,21-dichloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione
- SMILES
- CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)N1C2=C(C3=C1C(Cl)=CC=C3)C1=C(C(=O)NC1=O)C1=C2NC2=C1C=CC=C2Cl
References
- General References
- Not Available
- External Links
- ChemSpider
- 65891
- BindingDB
- 50162287
- ChEBI
- 135511
- ChEMBL
- CHEMBL370100
- ZINC
- ZINC000028520217
- Wikipedia
- Rebeccamycin
Clinical Trials
- 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 0.0196 mg/mL ALOGPS logP 3.32 ALOGPS logP 2.59 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 8.05 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 146.04 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 141.06 m3·mol-1 Chemaxon Polarizability 56.06 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 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)
Adduct CCS Value (Å2) Source type Source [M-H]- 214.4613495 predictedDarkChem Lite v0.1.0 [M+H]+ 216.9933495 predictedDarkChem Lite v0.1.0 [M+Na]+ 217.3633495 predictedDarkChem Lite v0.1.0
Drug created at December 15, 2018 23:57 / Updated at June 12, 2020 16:53