DMP-777
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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
- DMP-777
- DrugBank Accession Number
- DB18488
- Background
DMP-777 is a selective inhibitor of polymorphonuclear leukocyte (PMN) elastase.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 564.683
Monoisotopic: 564.294785024 - Chemical Formula
- C31H40N4O6
- Synonyms
- 1-AZETIDINECARBOXAMIDE, N-((1R)-1-(1,3-BENZODIOXOL-5-YL)BUTYL)-3,3-DIETHYL-2-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENOXY)-4-OXO-, (2S)-
- External IDs
- DMP 777
- DMP-777
- DMP777
- L 694458
- L-694458
- L694458
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
- 3Q0469283P
- CAS number
- 157341-41-8
- InChI Key
- ZSDCIRYNTCVTMF-GIGWZHCTSA-N
- InChI
- InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1
- IUPAC Name
- (2S)-N-[(1R)-1-(2H-1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-4-oxoazetidine-1-carboxamide
- SMILES
- CCC[C@@H](NC(=O)N1[C@@H](OC2=CC=C(C=C2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)C1=CC=C2OCOC2=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 154946
- BindingDB
- 50066999
- ChEMBL
- CHEMBL310871
- ZINC
- ZINC000003936307
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 logP 4.85 Chemaxon pKa (Strongest Acidic) 14.03 Chemaxon pKa (Strongest Basic) 7.46 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 100.65 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 153.05 m3·mol-1 Chemaxon Polarizability 61.97 Å3 Chemaxon Number of Rings 5 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 September 27, 2023 19:20 / Updated at September 28, 2023 05:41