000			05386cam a2200661Ii 4500
001			on1265408571
003			OCoLC
005			20241121072941.0
006			m d
007			cr cnu---unuuu
008			210827s2021 enk o 001 0 eng d
040			_aUKRSC _beng _erda _epn _cUKRSC _dEBLCP _dOCLCO _dYDX _dN$T
019			_a1265085890
020			_a9781788016414 _q(electronic bk.)
020			_a1788016416 _q(electronic bk.)
020			_z9781788012270
020			_z1788012275
020			_a9781839160493 _q(electronic bk.)
020			_a1839160497 _q(electronic bk.)
035			_a3017769 _b(N$T)
035			_a(OCoLC)1265408571 _z(OCoLC)1265085890
037			_a5428:5277 _bRoyal Society of Chemistry _nhttp://www.rsc.org/spr
050		4	_aRM301.27
072		7	_aSCI _x013020 _2bisacsh
072		7	_aSCI _x007000 _2bisacsh
072		7	_aPSB _2bicssc
072		7	_aPNN _2bicssc
082	0	4	_a615.1901 _223
049			_aMAIN
245	0	4	_aThe medicinal chemist's guide to solving ADMET challenges / _cedited by Patrick Schnider.
264		1	_aCambridge : _bRoyal Society of Chemistry, _c2021.
300			_a1 online resource (1 volume)
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
490	1		_aRSC drug discovery
500			_aIncludes index.
588	0		_aPrint version record.
505	0		_aIntro -- Half Title -- Drug Discovery Series -- Title -- Copyright -- Preface -- Contents -- Chapter 1 Overview of Strategies for Solving ADMET Challenges -- 1.1 Introduction -- 1.2 Strategies by ADMET Properties -- 1.2.1 Tactics to Improve Solubility (Chapter 2) -- 1.2.2 Optimisation of Passive Permeability for Oral Absorption (Chapter 3) -- 1.2.3 Targeting Gastrointestinal Uptake Transporters (Chapter 4) -- 1.2.4 Drug Efflux Transporters: P-gp and BCRP (Chapter 5) -- 1.2.5 OATs and OCTs: The SLC22 Family of Organic Anion and Cation Transporters (Chapter 6)
505	8		_a1.2.6 OATPs: The SLCO Family of Organic Anion Transporting Polypeptide Transporters (Chapter 7) -- 1.2.7 Bile Salt Export Pump (BSEP) Inhibition (Chapter 8) -- 1.2.8 Cytochrome P450 Metabolism (Chapter 9) -- 1.2.9 Cytochrome P450 Induction (Chapter 10) -- 1.2.10 Strategies to Mitigate CYP450 Inhibition (Chapter 11) -- 1.2.11 Aldehyde and Xanthine Oxidase Metabolism (Chapter 12) -- 1.2.12 Glucuronidation (Chapter 13) -- 1.2.13 Sulfation (Chapter 14) -- 1.2.14 Reactive Metabolites (Chapter 15) -- 1.2.15 Genotoxicity (Chapter 16) -- 1.2.16 Drug-induced Photosensitivity (Chapter 17)
505	8		_a1.2.17 Drug-induced Phospholipidosis (Chapter 18) -- 1.2.18 Cardiac Ion Channel Inhibition (Chapter 19) -- 1.3 Strategies by Molecular Properties -- References -- Chapter 2 Tactics to Improve Solubility -- 2.1 Introduction: Relevance of Solubility for Drug Disposition -- 2.2 Definitions -- 2.2.1 Which Solubility Measure is Most Pertinent? -- 2.2.2 Solubility, Lipophilicity and pKa -- 2.2.3 General Solubility Equation (GSE) -- 2.2.4 Other Predictors: In Silico -- 2.3 Mitigation Strategies -- 2.3.1 Decrease Lipophilicity -- 2.3.2 Charge -- 2.3.3 Introduction of Polar Substituents
505	8		_a2.3.4 Replacement of Aromatic CH by N or O -- 2.3.5 Reduce Crystal Packing and Melting Point -- 2.3.6 Salt Forms -- 2.4 Examples of Mitigation Strategies -- 2.4.1 Changing Lipophilicity, Adding Polar Groups, Twists -- 2.4.2 Solid State Structure Manipulation to Reduce Melting Point -- 2.4.3 Modulating Intramolecular Interactions -- Reducing Melting Point -- 2.4.4 Reducing Planarity -- 2.4.5 Heterocyclic Switches, Reducing Aromaticity -- 2.4.6 Heterocyclic Switch -- 2.4.7 Disruption of Planarity -- 2.4.8 Simple Changes, Big Differences -- Crystal Packing and Effect of a Twist
505	8		_a2.4.9 Introducing Polar Clashes to Induce a Twist -- 2.4.10 Profound Effect of Methyl Substituents -- 2.4.11 Additions of a Solubilising Group -- 2.4.12 Salt Formation -- References -- Chapter 3 Optimisation of Passive Permeability for Oral Absorption -- 3.1 Introduction -- 3.1.1 Potential Mechanisms of Membrane Permeation -- 3.1.2 Strategies for Screening for Passive Permeability -- 3.1.3 Influence of Physicochemical Properties on Passive Permeability -- 3.1.4 Future Directions: Beyond Rule-of-five -- 3.1.5 Relevance -- 3.2 Mitigation Strategies -- 3.3 Examples of Mitigation Strategies
520			_aThe Medicinal Chemist's Guide to Solving ADMET Challenges presents state-of-the-art design strategies by a global group of experienced medicinal chemists and ADMET experts across academia and the pharmaceutical industry.
590			_aOCLC control number change
650		0	_aDrugs _xTesting. _917663
650		0	_aPharmaceutical chemistry. _917664
655		0	_aElectronic books. _93907
655		4	_aElectronic books. _93907
700	1		_aSchnider, Patrick, _eeditor. _917665
776	0	8	_iPrint version: _tMedicinal chemist's guide to solving ADMET challenges. _dCambridge : Royal Society of Chemistry, 2020 _z9781788012270 _w(OCoLC)1202969953
830		0	_aRSC drug discovery series. _915873
856	4	0	_3EBSCOhost _uhttps://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=3017769
938			_aProQuest Ebook Central _bEBLB _nEBL6709822
938			_aYBP Library Services _bYANK _n302419817
938			_aEBSCOhost _bEBSC _n3017769
994			_a92 _bN$T
999			_c7970 _d7970