Nutlin-3
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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
- Nutlin-3
- DrugBank Accession Number
- DB17039
- Background
Nutlin-3 is a small molecule inhibitor that targets p53-Mdm2 interaction.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 581.49
Monoisotopic: 580.1644109 - Chemical Formula
- C30H30Cl2N4O4
- Synonyms
- 2-piperazinone, 4-(((4r,5s)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-(4-methoxy-2-(1-methylethoxy)phenyl)-1h-imidazol-1-yl)carbonyl)-, rel-
- External IDs
- NSC-732664
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
- 53IA0V845C
- CAS number
- 548472-68-0
- InChI Key
- BDUHCSBCVGXTJM-WUFINQPMSA-N
- InChI
- InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
- IUPAC Name
- 4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-2-one
- SMILES
- COC1=CC(OC(C)C)=C(C=C1)C1=N[C@H]([C@H](N1C(=O)N1CCNC(=O)C1)C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1
References
- General References
- Yee-Lin V, Pooi-Fong W, Soo-Beng AK: Nutlin-3, A p53-Mdm2 Antagonist for Nasopharyngeal Carcinoma Treatment. Mini Rev Med Chem. 2018;18(2):173-183. doi: 10.2174/1389557517666170717125821. [Article]
- External Links
- ChemSpider
- 9608062
- BindingDB
- 50229787
- ChEBI
- 95096
- ChEMBL
- CHEMBL191334
- ZINC
- ZINC000016051336
- PDBe Ligand
- NUT
- Wikipedia
- Nutlin
- PDB Entries
- 4hg7 / 4j3e / 5c5a / 5z02 / 5zxf / 7c3q / 7c3y / 7c44 / 8hdg / 8ia5
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 0.00127 mg/mL ALOGPS logP 5.35 ALOGPS logP 5.17 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 13.64 Chemaxon pKa (Strongest Basic) 3.65 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 83.47 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 154.16 m3·mol-1 Chemaxon Polarizability 59.76 Å3 Chemaxon Number of Rings 5 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 October 11, 2022 17:37 / Updated at December 01, 2022 11:34