Assay ID | Title | Year | Journal | Article |
AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
| Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
| Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5
| A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5
| A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
| Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
AID1216338 | Metabolism dependent inhibition of CYP3A4 in human liver microsomes pretreated with compound for 20 mins in presence of midazolam substrate and NADPH by HPLC-MS/MS method relative to untreated control | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577033 | Oral bioavailability in rat at 1 mg/kg | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID779999 | Plasma clearance in rat at 0.5 mg/kg, iv and 1 mg/kg, po | 2013 | Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
| Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. |
AID577023 | Toxicity in Mongolian gerbil assessed as abnormal behavior at 0.3 to 1 mg/kg, po | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID577044 | Half life in marmoset at 1 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID577029 | Oral bioavailability in mouse at 2 mg/kg | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID779992 | Oral bioavailability in dog at 1 mg/kg | 2013 | Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
| Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. |
AID1216318 | Tmax in healthy human at 150 mg, po administered as single dose | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577025 | Toxicity in Mongolian gerbil assessed as locomotor activity at 1 mg/kg, po | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216315 | AUC (0 to t) in healthy human at 150 mg, po administered as single dose on day 8 and cotreated with rifampin at 600 mg, po qd on day 1 to 9 | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577036 | Half life in dog at 0.5 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216332 | Ratio of drug level in blood to plasma in human | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216321 | Half life in healthy human at 150 mg, po administered as single dose on day 8 and cotreated with rifampin at 600 mg, po qd on day 1 to 9 | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577045 | Bioavailability in marmoset at 1 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216344 | Unbound fraction in human gut | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216340 | Metabolism dependent inactivation of CYP3A4 in human liver microsomes pretreated with compound in presence of midazolam substrate and NADPH by HPLC-MS/MS method relative to untreated control | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216351 | Cmax in healthy human assessed as fold change at 100 mg, po in presence of 400 mg ketoconazole | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577043 | Volume of distribution at steady state in marmoset at 1 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216308 | Tmax in healthy human at 100 mg, po administered as single dose on day 4 and cotreated with ketoconazole at 400 mg, po qd on day 1 to 7 | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577026 | Plasma clearance in mouse at 2 mg/kg, po | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID577015 | Displacement of [3H]GR205171 from human NK1 receptor in cortex homogenate at 0.5 nM by liquid scintillation counting | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216343 | Volume of distribution at steady state in human | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577022 | Antidepressant activity against po dosed Mongolian gerbil assessed as increase in social interaction time | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216333 | Unbound fraction in human plasma | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577012 | Inhibition of GR73632-induced foot tapping in orally dosed Mongolian gerbil after 8 hrs | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216334 | Fraction drug absorption in human | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216316 | Cmax in healthy human at 150 mg, po administered as single dose | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID779997 | Volume of distribution at steady state in rat at 0.5 mg/kg, iv and 1 mg/kg, po | 2013 | Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
| Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. |
AID1216305 | Cmax in healthy human at 100 mg, po administered as single dose | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216307 | Tmax in healthy human at 100 mg, po administered as single dose | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID779996 | Volume of distribution at steady state in dog at 0.5 mg/kg, iv and 1 mg/kg, po | 2013 | Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
| Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. |
AID577042 | Plasma clearance in marmoset at 1 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID577027 | Volume of distribution at steady state in mouse at 2 mg/kg, po | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID779995 | Half life in rat at 0.5 mg/kg, iv and 1 mg/kg, po | 2013 | Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
| Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. |
AID577009 | Inhibition of GR73632-induced foot tapping in orally dosed Mongolian gerbil after 1 hr | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216306 | Cmax in healthy human at 100 mg, po administered as single dose on day 4 and cotreated with ketoconazole at 400 mg, po qd on day 1 to 7 | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577019 | Binding affinity to calcium channel L type benzodiazepine binding site | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216341 | Drug metabolism in human liver microsomes assessed as CYP3A4-mediated GSK525060 formation at 5 to 20 uM up to 30 mins by HPLC-MS/MS method | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216320 | Half life in healthy human at 150 mg, po administered as single dose | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577037 | Bioavailability in dog at 0.5 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID577016 | Binding affinity to sigma 1 receptor | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216336 | Inhibition of CYP3A4 in human liver microsomes using midazolam substrate by HPLC-MS/MS method | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216354 | AUC in healthy human assessed as fold change at 150 mg, po in presence of 600 mg rifampin | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216301 | Drug metabolism assessed as human recombinant CYP3A4-mediated GSK525060 formation after 30 mins by HPLC-MS/MS method | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577028 | Half life in mouse at 2 mg/kg, po | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216352 | AUC in healthy human assessed as fold change at 100 mg, po in presence of 400 mg ketoconazole | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID576859 | Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID577041 | Bioavailability in cynomolgus monkey at 1 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID779998 | Plasma clearance in dog at 0.5 mg/kg, iv and 1 mg/kg, po | 2013 | Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
| Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. |
AID1216299 | Drug metabolism assessed as human recombinant CYP3A4-mediated GSK525060 formation at 10 uM after 30 mins by HPLC-MS/MS method | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577017 | Binding affinity to sodium channel site 2 | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216304 | AUC (0 to t) in healthy human at 100 mg, po administered as single dose | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577038 | Plasma clearance in cynomolgus monkey at 1 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216319 | Tmax in healthy human at 150 mg, po administered as single dose on day 8 and cotreated with rifampin at 600 mg, po qd on day 1 to 9 | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577034 | Plasma clearance in dog at 0.5 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID577014 | Displacement of [3H]GR205171 from human NK1 receptor in cortex homogenate by liquid scintillation counting | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216337 | Inhibition of CYP3A4 in human liver microsomes using nifedipine substrate by HPLC-MS/MS method | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216317 | Cmax in healthy human at 150 mg, po administered as single dose on day 8 and cotreated with rifampin at 600 mg, po qd on day 1 to 9 | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216331 | Dissociation constant, pKa of the compound | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216346 | Fraction of drug metabolized assessed as human CYP3A4-mediated drug metabolism | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577021 | Antidepressant activity against Mongolian gerbil assessed as increase in social interaction time at 0.3 to 1 mg/kg, po | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID779993 | Oral bioavailability in rat at 1 mg/kg | 2013 | Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
| Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. |
AID577018 | Binding affinity to calcium channel L type dihydropyridine binding site | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216314 | AUC (0 to t) in healthy human at 150 mg, po administered as single dose | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577030 | Plasma clearance in rat at 1 mg/kg, iv and po | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216345 | Intrinsic clearance in human liver microsomes assessed per mg protein | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577013 | Inhibition of GR73632-induced foot tapping in orally dosed Mongolian gerbil after 24 hrs | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID577024 | Antidepressant activity against po dosed Mongolian gerbil assessed as increase in social interaction time at 1 mg/kg, po (Rbv = 19+/-1.2seconds) | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216302 | Drug metabolism assessed as human recombinant CYP3A4-mediated GSK525060 formation per pmol of protein after 30 mins by HPLC-MS/MS method | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577035 | Volume of distribution at steady state in dog at 0.5 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216297 | Drug metabolism in human liver microsomes assessed as CYP3A4-mediated GSK525060 formation after 30 mins by HPLC-MS/MS method | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1216330 | Lipophilicity, log P of the compound | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577011 | Inhibition of GR73632-induced foot tapping in sc dosed Mongolian gerbil after 1 hr | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216298 | Drug metabolism in human liver microsomes assessed as CYP3A4-mediated GSK525060 formation per pmol of protein after 30 mins by HPLC-MS/MS method | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID779994 | Half life in dog at 0.5 mg/kg, iv and 1 mg/kg, po | 2013 | Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21
| Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. |
AID577031 | Volume of distribution at steady state in rat at 1 mg/kg, iv and po | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID577039 | Volume of distribution at steady state in cynomolgus monkey at 1 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216353 | Cmax in healthy human assessed as fold change at 150 mg, po in presence of 600 mg rifampin | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577040 | Half life in dog at cynomolgus monkey at 1 mg/kg, iv | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216303 | AUC (0 to t) in healthy human at 100 mg, po administered as single dose on day 4 and cotreated with ketoconazole at 400 mg, po qd on day 1 to 7 | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID577032 | Half life in rat at 1 mg/kg, iv and po | 2011 | Journal of medicinal chemistry, Feb-24, Volume: 54, Issue:4
| Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clini |
AID1216339 | Metabolism dependent inhibition of CYP3A4 in human liver microsomes pretreated with compound for 20 mins in presence of nifedipine substrate and NADPH by HPLC-MS/MS method relative to untreated control | 2011 | Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 39, Issue:3
| Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
AID1346346 | Human NK1 receptor (Tachykinin receptors) | 2010 | Expert opinion on therapeutic patents, Aug, Volume: 20, Issue:8
| Neurokinin-1 receptor antagonists: a comprehensive patent survey. |
AID1346346 | Human NK1 receptor (Tachykinin receptors) | 2013 | Journal of receptor and signal transduction research, Dec, Volume: 33, Issue:6
| Why receptor reserve matters for neurokinin1 (NK1) receptor antagonists. |
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |