This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- SJG-136
- DrugBank Accession Number
- DB11965
- Background
-
SJG-136 has been used in trials studying the treatment of Recurrent Fallopian Tube Cancer, Secondary Acute Myeloid Leukemia, de Novo Myelodysplastic Syndromes, Recurrent Ovarian Epithelial Cancer, and Secondary Myelodysplastic Syndromes, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
-
Structure for SJG-136 (DB11965)
- Weight
-
Average: 556.619
Monoisotopic: 556.232184766 - Chemical Formula
- C31H32N4O6
- Synonyms
- Not Available
- External IDs
-
- BN-2629
- NSC-694501
- SG-2000
- SP-2001
- UP-2001
Pharmacology
- Indication
-
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning models
with evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets. - Contraindications & Blackbox Warnings
-
Avoid life-threatening adverse drug eventsImprove clinical decision support with information oncontraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support. - 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.Improve decision support & research outcomes with our structured adverse effects data. - Toxicity
-
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
-
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 byClassyfire
-
- Description
- This compound belongs to the class of organic compounds known as pyrrolo[2,1-c][1,4]benzodiazepines. These are heterocyclic aromatic compounds containing a 1,4-benzodiazepine ring system that is fused to, and shared a nitrogen atom with a pyrrole ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzodiazepines
- Sub Class
- 1,4-benzodiazepines
- Direct Parent
- Pyrrolo[2,1-c][1,4]benzodiazepines
- Alternative Parents
- Anisoles/Alkyl aryl ethers/Tertiary carboxylic acid amides/Pyrrolidines/Lactams/Propargyl-type 1,3-dipolar organic compounds/Azacyclic compounds/Organopnictogen compounds/Organic oxides/Imines show 1 more
- Substituents
- Alkyl aryl ether/Anisole/Aromatic heteropolycyclic compound/Azacycle/Benzenoid/Carboxamide group/Carboxylic acid derivative/Ether/Hydrocarbon derivative/Imine show 12 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- KT0ZQ64X1A
- CAS number
- 232931-57-6
- InChI Key
- RWZVMMQNDHPRQD-SFTDATJTSA-N
- InChI
-
InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1
- IUPAC Name
-
(7S)-13-methoxy-12-(3-{[(7S)-13-methoxy-5-methylidene-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),8,11,13-tetraen-12-yl]oxy}propoxy)-5-methylidene-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),8,11,13-tetraen-2-one
- SMILES
-
COC1=CC2=C(C=C1OCCCOC1=CC3=C(C=C1OC)C(=O)N1CC(=C)C[C@H]1C=N3)N=C[C@@H]1CC(=C)CN1C2=O
References
- 通用再保险公司ferences
- Not Available
- External Links
-
- PubChem Compound
- 393111
- PubChem Substance
- 347828289
- ChemSpider
- 348408
- ChEMBL
- CHEMBL16498
- ZINC
- ZINC000003994495
Clinical Trials
- Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 0.0162 mg/mL ALOGPS logP 2.68 ALOGPS logP 2.24 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 4.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 102.26 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 157.22 m3·mol-1 Chemaxon Polarizability 61.87 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 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
- 质量规范(NIST)
- Not Available
- Spectra
-
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 21:06 / Updated at June 12, 2020 16:53