NEO-212
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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
- NEO-212
- DrugBank Accession Number
- DB17100
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 372.385
Monoisotopic: 372.154603148 - Chemical Formula
- C17H20N6O4
- Synonyms
- (s)-perillyl alcohol temozolomide carbamate
- Carbamic acid, n-((3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazin-8-yl)carbonyl)-, ((4s)-4-(1-methylethenyl)-1-cyclohexen-1-yl)methyl ester
- Tmz-poh carbamate
- External IDs
- NEO-212
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
- 237TB781D9
- CAS number
- 1361198-79-9
- InChI Key
- MGTLGARADRIKNV-GFCCVEGCSA-N
- InChI
- InChI=1S/C17H20N6O4/c1-10(2)12-6-4-11(5-7-12)8-27-16(25)19-15(24)13-14-20-21-22(3)17(26)23(14)9-18-13/h4,9,12H,1,5-8H2,2-3H3,(H,19,24,25)/t12-/m1/s1
- IUPAC Name
- [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl N-{3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carbonyl}carbamate
- SMILES
- CN1N=NC2=C(N=CN2C1=O)C(=O)NC(=O)OCC1=CC[C@H](CC1)C(C)=C
References
- General References
- Not Available
- External Links
- ChemSpider
- 32490196
- ZINC
- ZINC000114462320
Clinical Trials
- 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 0.301 mg/mL ALOGPS logP 2.3 ALOGPS logP 2.78 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 6.4 Chemaxon pKa (Strongest Basic) -4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 118.25 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 99.04 m3·mol-1 Chemaxon Polarizability 38.29 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 14, 2022 21:00 / Updated at December 01, 2022 11:34