Ceclazepide
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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
- Ceclazepide
- DrugBank Accession Number
- DB17270
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 556.623
Monoisotopic: 556.243418154 - Chemical Formula
- C30H32N6O5
- Synonyms
- (r)-1-(1-(4-acetoxy-3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1h-benzo(e)(1,4)diazepin-3-yl)-3-(3-methylamino-phenyl)-urea
- Urea, n-((3r)-1-(4-(acetyloxy)-3,3-dimethyl-2-oxobutyl)-2,3-dihydro-2-oxo-5-(2-pyridinyl)-1h-1,4-benzodiazepin-3-yl)-n'-(3-(methylamino)phenyl)-
- External IDs
- TR-2A
- TR2-A
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 99B5ZR9276
- CAS number
- 1801749-44-9
- InChI Key
- GPEYTRIZYSZRRK-MHZLTWQESA-N
- InChI
- InChI=1S/C30H32N6O5/c1-19(37)41-18-30(2,3)25(38)17-36-24-14-6-5-12-22(24)26(23-13-7-8-15-32-23)34-27(28(36)39)35-29(40)33-21-11-9-10-20(16-21)31-4/h5-16,27,31H,17-18H2,1-4H3,(H2,33,35,40)/t27-/m0/s1
- IUPAC Name
- 2,2-dimethyl-4-[(3R)-3-({[3-(methylamino)phenyl]carbamoyl}amino)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]-3-oxobutyl acetate
- SMILES
- CNC1=CC(NC(=O)N[C@@H]2N=C(C3=NC=CC=C3)C3=CC=CC=C3N(CC(=O)C(C)(C)COC(C)=O)C2=O)=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 59718649
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 0.00448 mg/mL ALOGPS logP 3.1 ALOGPS logP 3.21 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 13.24 Chemaxon pKa (Strongest Basic) 4.31 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 142.09 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 154.37 m3·mol-1 Chemaxon Polarizability 58 Å3 Chemaxon Number of Rings 4 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
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 30, 2022 22:23 / Updated at December 01, 2022 11:36