Nitrendipine
Nitrendipine structure
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Common Name | Nitrendipine | ||
|---|---|---|---|---|
| CAS Number | 39562-70-4 | Molecular Weight | 360.361 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 488.9±45.0 °C at 760 mmHg | |
| Molecular Formula | C18H20N2O6 | Melting Point | 1580C | |
| MSDS | Chinese USA | Flash Point | 249.5±28.7 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
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Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
Chem. Res. Toxicol. 23 , 171-83, (2010) Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this st... |
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Chemical genetics reveals a complex functional ground state of neural stem cells.
Nat. Chem. Biol. 3(5) , 268-273, (2007) The identification of self-renewing and multipotent neural stem cells (NSCs) in the mammalian brain holds promise for the treatment of neurological diseases and has yielded new insight into brain cancer. However, the complete repertoire of signaling pathways ... |
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Neural computational prediction of oral drug absorption based on CODES 2D descriptors.
Eur. J. Med. Chem. 45 , 930-40, (2010) A neural model based on a numerical molecular representation using CODES program to predict oral absorption of any structure is described. This model predicts both high and low-absorbed compounds with a global accuracy level of 74%. CODES/ANN methodology show... |
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Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).
J. Med. Chem. 51 , 3275-87, (2008) The chemical space of registered oral drugs was explored for inhibitors of the human multidrug-resistance associated protein 2 (MRP2; ABCC2), using a data set of 191 structurally diverse drugs and drug-like compounds. The data set included a new reference set... |
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Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain.
Bioorg. Med. Chem. 17 , 6983-92, (2009) Computational modeling continues to play an important role in novel therapeutics discovery and development. In this study, we have investigated the use of in silico approaches to develop inhibitors of the pleckstrin homology (PH) domain of AKT (protein kinase... |
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QSAR-based permeability model for drug-like compounds.
Bioorg. Med. Chem. 19 , 2615-24, (2011) A QSAR model was developed for predicting intestinal drug permeability, one of the most important parameters when evaluating compounds in drug discovery projects. First, a set of relevant properties for establishing a drug-like chemical space was applied to a... |
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Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
Bioorg. Med. Chem. 18 , 2225-31, (2010) There are many of pathogen parasite species with different susceptibility profile to antiparasitic drugs. Unfortunately, almost QSAR models predict the biological activity of drugs against only one parasite species. Consequently, predicting the probability wi... |
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Prediction of drug intestinal absorption by new linear and non-linear QSPR.
Eur. J. Med. Chem. 46 , 218-28, (2011) In order to minimize the high attrition rate that usually characterizes drug research and development projects, current medicinal chemists aim to characterize both pharmacological and ADME profiles at the beginning of drug R&D initiatives. Thus, the developme... |
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Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
J. Med. Chem. 51 , 6740-51, (2008) The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared and assayed 33 coumarin derivatives, and the theoretical pr... |
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Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
Nat. Chem. Biol. 5 , 765-71, (2009) Studies of gene function and molecular mechanisms in Plasmodium falciparum are hampered by difficulties in characterizing and measuring phenotypic differences between individual parasites. We screened seven parasite lines for differences in responses to 1,279... |