DT2216
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- DT2216
- DrugBank Accession Number
- DB18020
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1542.36
Monoisotopic: 1540.5834362 - Chemical Formula
- C77H96ClF3N10O10S4
- Synonyms
- DT-2216
- External IDs
- DT 2216
- DT-2216
- DT2216
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
- Y8JQ9V7JAJ
- CAS number
- 2365172-42-3
- InChI Key
- PXVFFBGSTYQHRO-REQIQPEASA-N
- InChI
- InChI=1S/C77H96ClF3N10O10S4/c1-51(53-18-20-55(21-19-53)70-52(2)82-50-103-70)83-73(96)66-44-61(92)48-91(66)74(97)71(75(3,4)5)85-68(93)16-12-9-13-17-69(94)90-42-36-87(37-43-90)35-33-59(49-102-62-14-10-8-11-15-62)84-65-31-30-63(45-67(65)104(98,99)77(79,80)81)105(100,101)86-72(95)56-24-28-60(29-25-56)89-40-38-88(39-41-89)47-57-46-76(6,7)34-32-64(57)54-22-26-58(78)27-23-54/h8,10-11,14-15,18-31,45,50-51,59,61,66,71,84,92H,9,12-13,16-17,32-44,46-49H2,1-7H3,(H,83,96)(H,85,93)(H,86,95)/t51-,59+,61+,66-,71+/m0/s1
- IUPAC Name
- (2S,4R)-1-[(2S)-2-(7-{4-[(3R)-3-{[4-({[4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)phenyl]formamido}sulfonyl)-2-trifluoromethanesulfonylphenyl]amino}-4-(phenylsulfanyl)butyl]piperazin-1-yl}-7-oxoheptanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
- SMILES
- C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCC(=O)N1CCN(CC[C@H](CSC2=CC=CC=C2)NC2=CC=C(C=C2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)C2=CC=C(C=C2)N2CCN(CC3=C(CCC(C)(C)C3)C3=CC=C(Cl)C=C3)CC2)CC1)C(C)(C)C)C1=CC=C(C=C1)C1=C(C)N=CS1
References
- General References
- Not Available
- External Links
- ChemSpider
- 88297533
- ChEMBL
- CHEMBL4745523
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Hematological Malignancy / Solid Tumors 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 logP 9.86 Chemaxon pKa (Strongest Acidic) 4.53 Chemaxon pKa (Strongest Basic) 8.31 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 15 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 251.07 Å2 Chemaxon Rotatable Bond Count 29 Chemaxon Refractivity 409.77 m3·mol-1 Chemaxon Polarizability 161.2 Å3 Chemaxon Number of Rings 10 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 07, 2023 15:46 / Updated at September 07, 2023 18:09