pbtz169 profile

macozinone: an antitubercular agent; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	57331386
CHEMBL ID	3330226
SCHEMBL ID	6128230
MeSH ID	M000599482

Synonym
S6549
SCHEMBL6128230
AC-33649
2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
macozinone
pbtz169
CHEMBL3330226
pbtz-169
1377239-83-2
EX-A1013
AKOS030526001
CS-5777
HY-12903
2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one
mfcd28902203
unii-a3m1353l40
BCP18094
pbtz-169;pbtz 169;macozinone
YH65042
DB14821
BS-15317
4h-1,3-benzothiazin-4-one, 2-(4-(cyclohexylmethyl)-1-piperazinyl)-8-nitro-6-(trifluoromethyl)-
A3M1353L40 ,
macozinone [inn]
2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-trifluoromethyl-4h-1,3-benzothiazin-4-one
macozinone [who-dd]
btz-169
SB19755
4h-1,3-benzothiazin-4-one, 2-[4-(cyclohexylmethyl)-1-piperazinyl]-8-nitro-6-(trifluoromethyl)-
bdbm50515570
2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one
A901655
CFC23983
bjdzbxgjnbmcav-uhfffaoysa-n
EN300-22129526
Z2327409016
{2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one

Excerpt	Reference	Relevance
"PBTZ169 appears to be a candidate for treating four common NTM infections. "	( Efficacy of PBTZ169 and pretomanid against Mycobacterium avium, Chen, X; Fu, L; Lu, Y; Qi, X; Wang, B; Wang, H; Zhang, W; Zheng, L, 2023)	2.73

Excerpt	Reference	Relevance
"Comparative evaluation of the pharmacokinetic properties of macozinone capsules 80 mg and the new dosage form a dispersible tablet for preparation of oral solution."	( [Effect of physicochemical properties on the pharmacokinetic parameters of the new representative of benzothiazinones antituberculosis drug macozinonе]. Bolgarina, AA; Igumnova, OV; Kazaishvili, YG; Khokhlov, AL; Mariandyshev, AO; Ozerova, IV; Rudoy, BA; Shcherbakova, VS, 2020)	0.56
" The main pharmacokinetic parameters of macozinone dispersable tablets 160 mg, after dosing with food and on an empty stomach, as well as capsules 80 mg, when administered on an empty stomach in vivo studies in dogs are presented."	( [Effect of physicochemical properties on the pharmacokinetic parameters of the new representative of benzothiazinones antituberculosis drug macozinonе]. Bolgarina, AA; Igumnova, OV; Kazaishvili, YG; Khokhlov, AL; Mariandyshev, AO; Ozerova, IV; Rudoy, BA; Shcherbakova, VS, 2020)	0.56
" Although its efficacy and safety have been strongly proven in several preclinical and clinical studies, the physicochemical and pharmacokinetic properties specific to MCZ required further optimization."	( Antituberculosis Macozinone Extended-Release Tablets To Enhance Bioavailability: a Pilot Pharmacokinetic Study in Beagle Dogs. Bolgarin, R; Kazaishvili, Y; Koryakova, A; Makarov, V; Riabova, O; Shcherbakova, V, 2023)	0.91

Excerpt	Reference	Relevance
" The purpose of phase Ib CT was to evaluate the safety, tolerability, PK of PBTZ169, 80 mg capsule, after single, double and multiple administration under fasting conditions in increasing doses, as well as the effect of food on its bioavailability in healthy volunteers."	( [The main results of clinical trials of the efficacy, safety and pharmacokinetics of the perspective anti-tuberculosis drug makozinone (PBTZ169)]. Bolgarina, AA; Igumnova, OV; Khokhlov, AL; Mariandyshev, AO; Nikitina, NA; Ozerova, IV; Shcherbakova, VS; Smerdin, SV, 2020)	0.99
" One of the promising ways of increasing bioavailability and, consiquently, efficacy is development a fundamentally new drug form with modified release within the absorption window."	( [Effect of physicochemical properties on the pharmacokinetic parameters of the new representative of benzothiazinones antituberculosis drug macozinonе]. Bolgarina, AA; Igumnova, OV; Kazaishvili, YG; Khokhlov, AL; Mariandyshev, AO; Ozerova, IV; Rudoy, BA; Shcherbakova, VS, 2020)	0.56
" In addition, food directly affects the bioavailability of MCZ from ER tablets but does not affect it from IR tablets."	( Antituberculosis Macozinone Extended-Release Tablets To Enhance Bioavailability: a Pilot Pharmacokinetic Study in Beagle Dogs. Bolgarin, R; Kazaishvili, Y; Koryakova, A; Makarov, V; Riabova, O; Shcherbakova, V, 2023)	0.91

Excerpt	Relevance	Reference
" PBTZ169 demonstrated linear PK in the dosage range up to 640 mg after single and multiple administration, a statistically significant of EBA of the drug after monotherapy at the dose of 640 mg/day was demonstrate, and it was concluded that the preferred regimen of the drug PBTZ169 intake is administration after meals."	( [The main results of clinical trials of the efficacy, safety and pharmacokinetics of the perspective anti-tuberculosis drug makozinone (PBTZ169)]. Bolgarina, AA; Igumnova, OV; Khokhlov, AL; Mariandyshev, AO; Nikitina, NA; Ozerova, IV; Shcherbakova, VS; Smerdin, SV, 2020)	1.67
" In murine infection model, TZY-5-84 at lower dosage (12."	( In vitro and in vivo antimicrobial activities of a novel piperazine-containing benzothiazinones candidate TZY-5-84 against Mycobacterium tuberculosis. Chen, X; Fu, L; Guo, S; Liu, M; Lu, Y; Wang, B; Zhao, J, 2020)	0.56
"Comparative evaluation of the pharmacokinetic properties of macozinone capsules 80 mg and the new dosage form a dispersible tablet for preparation of oral solution."	( [Effect of physicochemical properties on the pharmacokinetic parameters of the new representative of benzothiazinones antituberculosis drug macozinonе]. Bolgarina, AA; Igumnova, OV; Kazaishvili, YG; Khokhlov, AL; Mariandyshev, AO; Ozerova, IV; Rudoy, BA; Shcherbakova, VS, 2020)	0.56
" The main pharmacokinetic parameters of macozinone dispersable tablets 160 mg, after dosing with food and on an empty stomach, as well as capsules 80 mg, when administered on an empty stomach in vivo studies in dogs are presented."	( [Effect of physicochemical properties on the pharmacokinetic parameters of the new representative of benzothiazinones antituberculosis drug macozinonе]. Bolgarina, AA; Igumnova, OV; Kazaishvili, YG; Khokhlov, AL; Mariandyshev, AO; Ozerova, IV; Rudoy, BA; Shcherbakova, VS, 2020)	0.56
"The specific physicochemical properties of macozinone, the problems of developing the new dosage form, as well as ways of solving some of them are presented."	( [Effect of physicochemical properties on the pharmacokinetic parameters of the new representative of benzothiazinones antituberculosis drug macozinonе]. Bolgarina, AA; Igumnova, OV; Kazaishvili, YG; Khokhlov, AL; Mariandyshev, AO; Ozerova, IV; Rudoy, BA; Shcherbakova, VS, 2020)	0.56
"In the process of new dosage forms development, the existing chemical properties of the macozinone substance should be considered."	( [Effect of physicochemical properties on the pharmacokinetic parameters of the new representative of benzothiazinones antituberculosis drug macozinonе]. Bolgarina, AA; Igumnova, OV; Kazaishvili, YG; Khokhlov, AL; Mariandyshev, AO; Ozerova, IV; Rudoy, BA; Shcherbakova, VS, 2020)	0.56
" Superior efficacy was observed for OPC-167832 even at low-dose levels, which can be attributed to its low MIC, favorable distribution, and sustained retention above the MIC throughout the dosing interval in caseous necrotic lesions, where the majority of bacteria reside in C3HeB/FeJ mice."	( Comparative Analysis of Pharmacodynamics in the C3HeB/FeJ Mouse Tuberculosis Model for DprE1 Inhibitors TBA-7371, PBTZ169, and OPC-167832. Asay, BC; Carter, CL; Dartois, V; Eshun-Wilson, F; Graham, BG; Gruppo, V; Hastings, C; Kaya, F; Lenaerts, AJ; Lyons, MA; Maidj, E; Massoudi, LM; Podell, BK; Ramey, ME; Robertson, GT; Scott, DWL; Vásquez, JJ; Woolhiser, LK; Zimmerman, M, 2021)	0.83
" The patent literature and the clinical trial studies suggest capsule, tablet, and suspension formulations of crystalline MCZ and its hydrochloride salt as the possible and prospective dosage forms to treat TB."	( An insight into the discovery, clinical studies, compositions, and patents of macozinone: A drug targeting the DprE1 enzyme of Mycobacterium tuberculosis. Abdulaziz, O; Alharbi, AS; Almehmadi, M; Alshammari, MK; Alsubaihi, LI; Alzahrani, AK; Asdaq, SMB; Hussain, KH; Imran, M; Kamal, M; Khan, SA, 2022)	0.72

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Cytochrome P450 1A2	Homo sapiens (human)	IC50 (µMol)	10.0000	0.0001	1.7740	10.0000	AID1564647
Cytochrome P450 3A4	Homo sapiens (human)	IC50 (µMol)	10.0000	0.0001	1.7536	10.0000	AID1564649
Cytochrome P450 2D6	Homo sapiens (human)	IC50 (µMol)	10.0000	0.0000	2.0151	10.0000	AID1564648
Cytochrome P450 2C9	Homo sapiens (human)	IC50 (µMol)	10.0000	0.0000	2.8005	10.0000	AID1564650
Cytochrome P450 2C19	Homo sapiens (human)	IC50 (µMol)	3.7700	0.0000	2.3983	10.0000	AID1564651
Decaprenylphosphoryl-beta-D-ribose oxidase	Mycobacterium tuberculosis H37Rv	IC50 (µMol)	0.0100	0.0100	0.0100	0.0100	AID1705294; AID1827838
Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)	IC50 (µMol)	101.7000	0.0009	1.9014	10.0000	AID1564652
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Decaprenylphosphoryl-beta-D-ribose oxidase	Mycobacterium tuberculosis H37Rv	MIC	0.0020	0.0020	0.0020	0.0020	AID1603282
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
steroid catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
porphyrin-containing compound metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
toxin biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
post-embryonic development	Cytochrome P450 1A2	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
regulation of gene expression	Cytochrome P450 1A2	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
dibenzo-p-dioxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
lung development	Cytochrome P450 1A2	Homo sapiens (human)
methylation	Cytochrome P450 1A2	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
cellular respiration	Cytochrome P450 1A2	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
hydrogen peroxide biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 1A2	Homo sapiens (human)
cellular response to cadmium ion	Cytochrome P450 1A2	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
lipid hydroxylation	Cytochrome P450 3A4	Homo sapiens (human)
lipid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
androgen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
alkaloid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
calcitriol biosynthetic process from calciol	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 3A4	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
coumarin metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
alkaloid catabolic process	Cytochrome P450 2D6	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
isoquinoline alkaloid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2D6	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2D6	Homo sapiens (human)
negative regulation of binding	Cytochrome P450 2D6	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2D6	Homo sapiens (human)
negative regulation of cellular organofluorine metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
arachidonic acid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
urea metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2C9	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
amide metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
icosanoid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2C9	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
long-chain fatty acid metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2C19	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2C19	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 2C19	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of heart rate by hormone	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of membrane potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
positive regulation of DNA-templated transcription	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion homeostasis	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cardiac muscle contraction	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of membrane repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of ventricular cardiac muscle cell membrane repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cellular response to xenobiotic stimulus	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
ventricular cardiac muscle cell action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane depolarization during action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization during action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization during cardiac muscle cell action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion export across plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization during ventricular cardiac muscle cell action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
negative regulation of potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
positive regulation of potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
negative regulation of potassium ion export across plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion import across plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
monooxygenase activity	Cytochrome P450 1A2	Homo sapiens (human)
iron ion binding	Cytochrome P450 1A2	Homo sapiens (human)
protein binding	Cytochrome P450 1A2	Homo sapiens (human)
electron transfer activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 1A2	Homo sapiens (human)
enzyme binding	Cytochrome P450 1A2	Homo sapiens (human)
heme binding	Cytochrome P450 1A2	Homo sapiens (human)
demethylase activity	Cytochrome P450 1A2	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 1A2	Homo sapiens (human)
aromatase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1A2	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
steroid binding	Cytochrome P450 3A4	Homo sapiens (human)
iron ion binding	Cytochrome P450 3A4	Homo sapiens (human)
protein binding	Cytochrome P450 3A4	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid 4-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxygen binding	Cytochrome P450 3A4	Homo sapiens (human)
enzyme binding	Cytochrome P450 3A4	Homo sapiens (human)
heme binding	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D3 25-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
quinine 3-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
testosterone 6-beta-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 8,9 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 11,12 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 14,15 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
aromatase activity	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D 24-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1,8-cineole 2-exo-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2D6	Homo sapiens (human)
iron ion binding	Cytochrome P450 2D6	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2D6	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2D6	Homo sapiens (human)
heme binding	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 8,9 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 11,12 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 14,15 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
iron ion binding	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 7-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 2C9	Homo sapiens (human)
(R)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
aromatase activity	Cytochrome P450 2C9	Homo sapiens (human)
heme binding	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2C9	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
iron ion binding	Cytochrome P450 2C19	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 2C19	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2C19	Homo sapiens (human)
(S)-limonene 6-monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
(S)-limonene 7-monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
oxygen binding	Cytochrome P450 2C19	Homo sapiens (human)
enzyme binding	Cytochrome P450 2C19	Homo sapiens (human)
heme binding	Cytochrome P450 2C19	Homo sapiens (human)
(R)-limonene 6-monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
aromatase activity	Cytochrome P450 2C19	Homo sapiens (human)
long-chain fatty acid omega-1 hydroxylase activity	Cytochrome P450 2C19	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2C19	Homo sapiens (human)
transcription cis-regulatory region binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
inward rectifier potassium channel activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
delayed rectifier potassium channel activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
protein binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
ubiquitin protein ligase binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
identical protein binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
protein homodimerization activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
C3HC4-type RING finger domain binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel activity involved in cardiac muscle cell action potential repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
scaffold protein binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
endoplasmic reticulum membrane	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
cytoplasm	Cytochrome P450 3A4	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 3A4	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 3A4	Homo sapiens (human)
mitochondrion	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2D6	Homo sapiens (human)
cytoplasm	Cytochrome P450 2D6	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2C9	Homo sapiens (human)
plasma membrane	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
cytoplasm	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2C19	Homo sapiens (human)
plasma membrane	Cytochrome P450 2C19	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C19	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C19	Homo sapiens (human)
cytoplasm	Cytochrome P450 2C19	Homo sapiens (human)
plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cell surface	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
perinuclear region of cytoplasm	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel complex	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
inward rectifier potassium channel complex	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (187)

Assay ID	Title	Year	Journal	Article
AID1564637	Antimycobacterial activity against multidrug-resistant Mycobacterium tuberculosis isolate 16833 assessed as reduction in bacterial cell growth incubated for 7 days by microplate alamar blue assay	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1564671	AUC (0 to infinity) in Sprague-Dawley rat at 50 mg/kg, po by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1564670	AUC (0 to infinity) in Sprague-Dawley rat at 25 mg/kg, po by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1564655	Mutagenicity in Salmonella typhimurium TA100 in presence of S9 fraction by mini-Ames test	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1454449	Antitubercular activity against Mycobacterium tuberculosis H37Rv after 7 days by microplate alamar blue assay	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1772304	Non-covalent inhibition of DprE1 in PBTZ169-resistant Mycobacterium tuberculosis measured after 7 days by microplate Alamar blue assay
AID1395197	Antitubercular activity against multi-drug resistant Mycobacterium tuberculosis isolate 16883 after 7 days by Alamar blue assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Design, synthesis and antitubercular evaluation of benzothiazinones containing a piperidine moiety.
AID1759474	Antimycobacterial activity against multidrug resistance Mycobacterium tuberculosis 16995 clinical isolate incubated for 7 days by microplate alamar blue assay	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1395196	Antitubercular activity against multi-drug resistant Mycobacterium tuberculosis isolate 16995 after 7 days by Alamar blue assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Design, synthesis and antitubercular evaluation of benzothiazinones containing a piperidine moiety.
AID1585131	Intrinsic clearance in CD-1 mouse hepatocytes assessed per million cells at 1 uM incubated up to 120 mins by LC-MS/MS analysis	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1888661	MRT in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2022	Bioorganic & medicinal chemistry, 01-01, Volume: 53	Design, synthesis and biological evaluation of nitrofuran-1,3,4-oxadiazole hybrids as new antitubercular agents.
AID1510687	Antitubercular activity against multidrug resistant Mycobacterium tuberculosis isolate 11168 assessed as parasite growth inhibition measured after 7 days incubation by microplate alamar blue assay	2019	European journal of medicinal chemistry, Sep-15, Volume: 178	Design, synthesis and biological activity of N-(2-phenoxy)ethyl imidazo[1,2-a]pyridine-3-carboxamides as new antitubercular agents.
AID1827839	Thermodynamic solubility of compound at pH 7.4 aqueous phosphate buffer	2022	ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4	Development of 6-Methanesulfonyl-8-nitrobenzothiazinone Based Antitubercular Agents.
AID1395202	MRT in ICR mouse at 50 mg/kg, po administered as single dose by HPLC analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Design, synthesis and antitubercular evaluation of benzothiazinones containing a piperidine moiety.
AID1564666	Tmax in Sprague-Dawley rat at 200 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1827841	Metabolic stability in human liver microsomes assessed as half life at 1 uM preincubated for 10 mins followed by NADPH addition and further incubated upto 60 mins by LC-MS/MS analysis	2022	ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4	Development of 6-Methanesulfonyl-8-nitrobenzothiazinone Based Antitubercular Agents.
AID1564662	Half life in Sprague-Dawley rat at 50 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1556638	Antimycobacterial activity against multidrug resistance Mycobacterium tuberculosis 16883 clinical isolate assessed as reduction in bacterial cell viability incubated for 7 days by microplate alamar blue assay	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents.
AID1564656	Mutagenicity in Salmonella typhimurium TA102 in presence of S9 fraction by mini-Ames test	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1601638	Half life in ICR mouse at 25 mg/kg, po by HPLC analysis	2019	European journal of medicinal chemistry, Mar-01, Volume: 165	Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives.
AID1601629	Antitubercular activity against Mycobacterium tuberculosis H37Rv after 7 days by MABA method	2019	European journal of medicinal chemistry, Mar-01, Volume: 165	Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives.
AID1614911	Acute toxicity in specific pathogen free ICR mouse at 500 mg/kg, po administered as single dose measured up to 7 days	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1435711	Antimycobacterial activity against Mycobacterium tuberculosis MDR_CHUV by resazurin reduction microplate assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	S-substituted 3,5-dinitrophenyl 1,3,4-oxadiazole-2-thiols and tetrazole-5-thiols as highly efficient antitubercular agents.
AID1603282	Inhibition of Mycobacterium tuberculosis H37Rv DprE1 assessed as reduction in bacterial growth measured after 7 to 10 days by broth microdilution method	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1564665	Tmax in Sprague-Dawley rat at 50 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1385222	Acute toxicity in mouse assessed as survival at 500 mg/kg, po administered as single dose measured for 7 days
AID1601631	Antitubercular activity against multi drug resistant Mycobacterium tuberculosis 16833 after 7 days by MABA method	2019	European journal of medicinal chemistry, Mar-01, Volume: 165	Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives.
AID1827844	Metabolic stability in mouse liver microsomes assessed as intrinsic clearance at 1 uM preincubated for 10 mins followed by NADPH addition and further incubated upto 60 mins by LC-MS/MS analysis	2022	ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4	Development of 6-Methanesulfonyl-8-nitrobenzothiazinone Based Antitubercular Agents.
AID1556640	Acute toxicity in ICR mouse assessed as mouse survival at 500 mg/kg, po observed continuously for 4 hrs and each hr for next 24 hrs and at 8 hrs interval for following 7 days	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents.
AID1564636	Antimycobacterial activity against multidrug-resistant Mycobacterium tuberculosis isolate 16995 assessed as reduction in bacterial cell growth incubated for 7 days by microplate alamar blue assay	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1614906	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 after 7 days by microplate alamar blue assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1192368	Aqueous solubility of the compound by HPLC method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Synthesis and antitubercular evaluation of 4-carbonyl piperazine substituted 1,3-benzothiazin-4-one derivatives.
AID1556641	Half life in SPF ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents.
AID1915648	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as reduction in bacterial growth by REMA analysis	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	An appraisal of anti-mycobacterial activity with structure-activity relationship of piperazine and its analogues: A review.
AID1759476	Cytotoxicity against African green monkey Vero cells incubated for 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1556644	AUC (0 to t) in SPF ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents.
AID1603290	Protein binding in plasma (unknown origin) measured after 5 hrs by equilibrium dialysis method	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1601635	AUC (0 to infinity) in ICR mouse at 25 mg/kg, po by HPLC analysis	2019	European journal of medicinal chemistry, Mar-01, Volume: 165	Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives.
AID1692251	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as inhibition of bacterial growth incubated for 7 days by MABA assay	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1692252	Antimycobacterial activity against multidrug resistance Mycobacterium tuberculosis 16883 clinical isolate assessed as inhibition of bacterial growth incubated for 7 days by MABA assay	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1564657	Acute toxicity in Sprague-Dawley rat assessed as death at 2 g/kg, po measured continuously for first 4 hrs followed by every 1 hr for next 24 hrs and subsequent 8 hrs interval for 7 days	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1915636	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as reduction in bacterial growth by resazurin assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	An appraisal of anti-mycobacterial activity with structure-activity relationship of piperazine and its analogues: A review.
AID1601636	Cmax in ICR mouse at 25 mg/kg, po by HPLC analysis	2019	European journal of medicinal chemistry, Mar-01, Volume: 165	Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives.
AID1564653	Mutagenicity in Salmonella typhimurium TA100 in absence of S9 fraction by mini-Ames test	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1564645	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as reduction in bacterial cell growth at 32 ug/ml by Low-oxygen recovery assay	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1883684	Antibacterial activity against Mycobacterium tuberculosis H37Rv assessed as inhibition of bacterial growth by resazurin reduction microplate assay	2022	Journal of medicinal chemistry, 06-09, Volume: 65, Issue:11	Tuberculosis Drug Discovery: Challenges and New Horizons.
AID1564663	Half life in Sprague-Dawley rat at 200 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1556643	Cmax in SPF ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents.
AID1614914	Tmax in specific pathogen free ICR mouse at 25 mg/kg, po administered as single dose by HPLC analysis	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1692264	Oral bioavailability in BALB/c mouse at 12.5 mg/kg measured upto 24 hrs by HPLC analysis	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1888663	Clearance in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2022	Bioorganic & medicinal chemistry, 01-01, Volume: 53	Design, synthesis and biological evaluation of nitrofuran-1,3,4-oxadiazole hybrids as new antitubercular agents.
AID1705304	Inhibition of Mycobacterium tuberculosis H37Rv DprE1 assessed as increase in trehalose monomycolates at 100 x MIC incubated for 24 hrs using [14C]acetate by TLC based metabolic labelling assay relative to control	2020	European journal of medicinal chemistry, Dec-15, Volume: 208	Design, synthesis and evaluation of covalent inhibitors of DprE1 as antitubercular agents.
AID1395201	AUC (0 to infinity) in ICR mouse at 50 mg/kg, po administered as single dose by HPLC analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Design, synthesis and antitubercular evaluation of benzothiazinones containing a piperidine moiety.
AID1564667	Cmax in Sprague-Dawley rat at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1585132	Intrinsic clearance in human hepatocytes assessed per million cells at 1 uM incubated up to 120 mins by LC-MS/MS analysis	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1692257	Half life in BALB/c mouse at 2.5 mg/kg, iv measured upto 24 hrs by HPLC analysis	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1454458	MRT in ICR mouse at 50 mg/kg, po by HPLC analysis	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1705294	Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21 (DE3) cells assessed as formation of resorufin using FPR as substrate by Amplex Red hydrogen/peroxidase coupled assay	2020	European journal of medicinal chemistry, Dec-15, Volume: 208	Design, synthesis and evaluation of covalent inhibitors of DprE1 as antitubercular agents.
AID1759480	Tmax in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1601634	Aqueous solubility of the compound in 0.01 M HCl at pH 2 after 12 hrs by UV-based HPLC analysis	2019	European journal of medicinal chemistry, Mar-01, Volume: 165	Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives.
AID1564661	Half life in Sprague-Dawley rat at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1692262	AUC (0 to infinity) in BALB/c mouse at 2.5 mg/kg, iv measured upto 24 hrs by HPLC analysis	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1603284	Selectivity ratio of MIC90 for inhibition of DprE1-mediated growth of Mycobacterium tuberculosis H37Rv to MIC90 for inhibition of DprE1-mediated growth of Mycobacterium tuberculosis Erdman	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1397225	Antimycobacterial activity against isoniazid/rifampicin-resistant Mycobacterium tuberculosis isolate 16995 after 7 days by Alamar blue assay	2018	Bioorganic & medicinal chemistry letters, 09-15, Volume: 28, Issue:17	Design, synthesis and antimycobacterial activity of 3,5-dinitrobenzamide derivatives containing fused ring moieties.
AID1454455	Tmax in ICR mouse at 50 mg/kg, po by HPLC analysis	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1564668	Cmax in Sprague-Dawley rat at 50 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1585130	Half life in human hepatocytes assessed per million cells at 1 uM incubated up to 120 mins by LC-MS/MS analysis	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1585118	Metabolic stability in CD-1 mouse liver microsomes assessed as parent compound remaining at 1 uM measured after 30 mins in presence of NADPH by LC-MS/MS analysis	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1585121	Antimicrobial activity against multi drug-resistant Mycobacterium tuberculosis 14231 after 7 days by MABA	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1564673	Oral bioavailability in Sprague-Dawley rat at 25 mg/kg measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1556637	Inhibition of human ERG transfected in HEK293 cells at 10 uM by whole cell patch clamp assay relative to control	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents.
AID1692258	Half life in BALB/c mouse at 12.5 mg/kg, po measured upto 24 hrs by HPLC analysis	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1827840	Plasma protein binding in human	2022	ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4	Development of 6-Methanesulfonyl-8-nitrobenzothiazinone Based Antitubercular Agents.
AID1385226	AUC (0 to infinity) in mouse at 50 mg/kg, po administered as single dose
AID1759479	Half life in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1692259	Tmax in BALB/c mouse at 12.5 mg/kg, po measured upto 24 hrs by HPLC analysis	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1162166	Antitubercular activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition	2014	European journal of medicinal chemistry, Oct-30, Volume: 86	SAR analysis of new anti-TB drugs currently in pre-clinical and clinical development.
AID1585117	Metabolic stability in human liver microsomes assessed as parent compound remaining at 1 uM measured after 30 mins in presence of NADPH by LC-MS/MS analysis	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1564651	Inhibition of CYP2C19 (unknown origin)	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1564675	Oral bioavailability in Sprague-Dawley rat at 200 mg/kg measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1692261	Cmax in BALB/c mouse at 12.5 mg/kg, po measured upto 24 hrs by HPLC analysis	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1705303	Inhibition of Mycobacterium tuberculosis H37Rv DprE1 assessed as increase in trehalose dimycolates at 100 x MIC incubated for 24 hrs using [14C]acetate by TLC based metabolic labelling assay relative to control	2020	European journal of medicinal chemistry, Dec-15, Volume: 208	Design, synthesis and evaluation of covalent inhibitors of DprE1 as antitubercular agents.
AID1564642	AUC (0 to infinity) in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1385224	Tmax in mouse at 50 mg/kg, po administered as single dose
AID1397223	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 after 7 days by Alamar blue assay	2018	Bioorganic & medicinal chemistry letters, 09-15, Volume: 28, Issue:17	Design, synthesis and antimycobacterial activity of 3,5-dinitrobenzamide derivatives containing fused ring moieties.
AID1385223	Half life in mouse at 50 mg/kg, po administered as single dose
AID1395198	Half life in ICR mouse at 50 mg/kg, po administered as single dose by HPLC analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Design, synthesis and antitubercular evaluation of benzothiazinones containing a piperidine moiety.
AID1888662	Volume of distribution in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2022	Bioorganic & medicinal chemistry, 01-01, Volume: 53	Design, synthesis and biological evaluation of nitrofuran-1,3,4-oxadiazole hybrids as new antitubercular agents.
AID1454451	Aqueous solubility of the compound at pH 2 after 12 hrs by HPLC-UV method	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1192369	Cytotoxicity against African green monkey Vero cells after 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Synthesis and antitubercular evaluation of 4-carbonyl piperazine substituted 1,3-benzothiazin-4-one derivatives.
AID1692256	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv infected in BALB/c mouse assessed as reduction in colony forming unit in lung at 25 mg/kg, po administered once daily for 5 days a week for 3 weeks (Rvb = 5.35 +/- 0.17 log10CFU)	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1192367	Antitubercular activity against Mycobacterium tuberculosis H37Ra ATCC 25177 by MABA method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Synthesis and antitubercular evaluation of 4-carbonyl piperazine substituted 1,3-benzothiazin-4-one derivatives.
AID1585119	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability after 48 hrs by MTT assay	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1564641	Cmax in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1603283	Selectivity ratio of MIC90 for inhibition of DprE1-mediated growth of Mycobacterium tuberculosis H37Rv to MIC90 for inhibition of DprE1-mediated growth of Mycobacterium tuberculosis CDC1551	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1395199	Tmax in ICR mouse at 50 mg/kg, po administered as single dose by HPLC analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Design, synthesis and antitubercular evaluation of benzothiazinones containing a piperidine moiety.
AID1601632	Cytotoxicity against African green monkey Vero cells measured after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Mar-01, Volume: 165	Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives.
AID1759481	Cmax in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1601630	Antitubercular activity against multi drug resistant Mycobacterium tuberculosis 16995 after 7 days by MABA method	2019	European journal of medicinal chemistry, Mar-01, Volume: 165	Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives.
AID1883708	Solubility of the compound	2022	Journal of medicinal chemistry, 06-09, Volume: 65, Issue:11	Tuberculosis Drug Discovery: Challenges and New Horizons.
AID1564646	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as reduction in bacterial cell growth by Low-oxygen recovery assay	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1585116	Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability after 48 hrs by MTT assay	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1564635	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as reduction in bacterial cell growth incubated for 7 days by microplate alamar blue assay	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1759477	Selectivity index, ratio of CC50 for African green monkey Vero cells to MIC for multidrug resistance Mycobacterium tuberculosis 16995 clinical isolate	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1603289	Intrinsic clearance in human liver microsomes at 2.5 uL preincubated for 5 mins followed by NADPH addition and measured by LC-MS/MS analysis	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1564672	AUC (0 to infinity) in Sprague-Dawley rat at 200 mg/kg, po by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1883686	Antibacterial activity against Mycobacterium tuberculosis H37Rv in chronic Mtb infection BALB/c mouse model assessed as reduction in log10 CFU in lungs at 50 mg/kg/day, po via gavage upto 28 days	2022	Journal of medicinal chemistry, 06-09, Volume: 65, Issue:11	Tuberculosis Drug Discovery: Challenges and New Horizons.
AID1827842	Metabolic stability in mouse liver microsomes assessed as half life at 1 uM preincubated for 10 mins followed by NADPH addition and further incubated upto 60 mins by LC-MS/MS analysis	2022	ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4	Development of 6-Methanesulfonyl-8-nitrobenzothiazinone Based Antitubercular Agents.
AID1705295	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 25618 assessed as inhibition of visible bacterial growth by MABA assay	2020	European journal of medicinal chemistry, Dec-15, Volume: 208	Design, synthesis and evaluation of covalent inhibitors of DprE1 as antitubercular agents.
AID1614907	Antimycobacterial activity against isoniazid/rifampicin-resistant Mycobacterium tuberculosis isolate 16995 after 7 days by microplate alamar blue assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1614908	Antimycobacterial activity against isoniazid/rifampicin-resistant Mycobacterium tuberculosis isolate 16833 after 7 days by microplate alamar blue assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1614915	Elimination half life in specific pathogen free ICR mouse at 25 mg/kg, po administered as single dose by HPLC analysis	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1454448	Antitubercular activity against multidrug-resistant Mycobacterium tuberculosis 12525 after 7 days by microplate alamar blue assay	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1564652	Inhibition of human ERG transfected in HEK293 cells by whole-cell patch clamp method	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1871982	Antimycobacterial activity against Mycobacterium tuberculosis	2022	European journal of medicinal chemistry, Feb-05, Volume: 229	Tuberculosis drug discovery: Progression and future interventions in the wake of emerging resistance.
AID1772084	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ACTT 25618 assessed as inhibition of visible growth incubated for 7 days by micro plate alamar blue assay
AID1510688	Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as parasite growth inhibition measured after 7 days incubation by microplate alamar blue assay	2019	European journal of medicinal chemistry, Sep-15, Volume: 178	Design, synthesis and biological activity of N-(2-phenoxy)ethyl imidazo[1,2-a]pyridine-3-carboxamides as new antitubercular agents.
AID1603287	Half life in mouse human microsomes at 2.5 uL preincubated for 5 mins followed by NADPH addition and measured by LC-MS/MS analysis	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1564643	MRT in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1883697	Antibacterial activity against Mycobacterium tuberculosis H37Rv in chronic Mtb infection BALB/cByJ mouse model assessed as reduction in log10 CFU at 25 mg/kg, po via gavage for 4 weeks	2022	Journal of medicinal chemistry, 06-09, Volume: 65, Issue:11	Tuberculosis Drug Discovery: Challenges and New Horizons.
AID1395200	Cmax in ICR mouse at 50 mg/kg, po administered as single dose by HPLC analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Design, synthesis and antitubercular evaluation of benzothiazinones containing a piperidine moiety.
AID1915656	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as reduction in bacterial growth incubated for 6 days by resazurin reduction microplate assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	An appraisal of anti-mycobacterial activity with structure-activity relationship of piperazine and its analogues: A review.
AID1564654	Mutagenicity in Salmonella typhimurium TA102 in absence of S9 fraction by mini-Ames test	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1759483	MRT in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1692260	Cmax in BALB/c mouse at 2.5 mg/kg, iv measured upto 24 hrs by HPLC analysis	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1510690	Acute toxicity in ICR mouse assessed as animal survival at 500 mg/kg, po administered as single dose measured for 7 days	2019	European journal of medicinal chemistry, Sep-15, Volume: 178	Design, synthesis and biological activity of N-(2-phenoxy)ethyl imidazo[1,2-a]pyridine-3-carboxamides as new antitubercular agents.
AID1614909	Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability after 72 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1564660	AUC (0 to infinity) in Sprague-Dawley rat at 2.5 mg/kg, iv by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1556636	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as reduction in bacterial cell viability incubated for 7 days by microplate alamar blue assay	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents.
AID1564664	Tmax in Sprague-Dawley rat at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1888658	Tmax in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2022	Bioorganic & medicinal chemistry, 01-01, Volume: 53	Design, synthesis and biological evaluation of nitrofuran-1,3,4-oxadiazole hybrids as new antitubercular agents.
AID1564650	Inhibition of CYP2C9 (unknown origin)	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1772301	Non-covalent inhibition of DprE1 in Mycobacterium tuberculosis H37Rv measured after 7 days by microplate Alamar blue assay
AID1888659	Cmax in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2022	Bioorganic & medicinal chemistry, 01-01, Volume: 53	Design, synthesis and biological evaluation of nitrofuran-1,3,4-oxadiazole hybrids as new antitubercular agents.
AID1759482	AUC (0 to infinity) in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1601637	Tmax in ICR mouse at 25 mg/kg, po by HPLC analysis	2019	European journal of medicinal chemistry, Mar-01, Volume: 165	Synthesis and antitubercular evaluation of reduced lipophilic imidazo[1,2-a]pyridine-3-carboxamide derivatives.
AID1692263	AUC (0 to infinity) in BALB/c mouse at 12.5 mg/kg, po measured upto 24 hrs by HPLC analysis	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1692253	Antimycobacterial activity against multidrug resistance Mycobacterium tuberculosis 16995 clinical isolate assessed as inhibition of bacterial growth incubated for 7 days by MABA assay	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1385220	Antitubercular activity against isoniazid/rifampicin-resistant Mycobacterium tuberculosis 12525 clinical isolate measured after 7 days by microplate alamar blue assay
AID1585122	Selectivity index, ratio of IC50 for human HepG2 cells to MIC=>90 for Mycobacterium tuberculosis H37Rv	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1888657	Half life in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2022	Bioorganic & medicinal chemistry, 01-01, Volume: 53	Design, synthesis and biological evaluation of nitrofuran-1,3,4-oxadiazole hybrids as new antitubercular agents.
AID1888660	AUC(0 to infinity) in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2022	Bioorganic & medicinal chemistry, 01-01, Volume: 53	Design, synthesis and biological evaluation of nitrofuran-1,3,4-oxadiazole hybrids as new antitubercular agents.
AID1772085	Metabolic stability in human liver microsomes assessed as half life in presence of NADPH by LC/MS analysis
AID1564639	Half life in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1556639	Antimycobacterial activity against multidrug resistance Mycobacterium tuberculosis 16995 clinical isolate assessed as reduction in bacterial cell viability incubated for 7 days by microplate alamar blue assay	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents.
AID1692254	Cytotoxicity against African green monkey Vero cells	2020	European journal of medicinal chemistry, Aug-15, Volume: 200	Identification of benzothiazinones containing 2-benzyl-2,7-diazaspiro[3.5]nonane moieties as new antitubercular agents.
AID1585123	Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) by fluorescence based assay	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1397224	Antimycobacterial activity against isoniazid/rifampicin-resistant Mycobacterium tuberculosis isolate 16833 after 7 days by Alamar blue assay	2018	Bioorganic & medicinal chemistry letters, 09-15, Volume: 28, Issue:17	Design, synthesis and antimycobacterial activity of 3,5-dinitrobenzamide derivatives containing fused ring moieties.
AID1759473	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 incubated for 7 days by microplate alamar blue assay	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1827843	Metabolic stability in human liver microsomes assessed as intrinsic clearance at 1 uM preincubated for 10 mins followed by NADPH addition and further incubated upto 60 mins by LC-MS/MS analysis	2022	ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4	Development of 6-Methanesulfonyl-8-nitrobenzothiazinone Based Antitubercular Agents.
AID1679143	Inhibition of Mycobacterium tuberculosis H37Rv DprE1 at 100 times of MIC incubated for 24 hrs by [14C]-acetate radioligand based thin layer chromatography	2021	RSC medicinal chemistry, Jan-01, Volume: 12, Issue:1	Hydride-induced Meisenheimer complex formation reflects activity of nitro aromatic anti-tuberculosis compounds.
AID1614910	Inhibition of human ERG at 10 uM relative to control	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1614916	Aqueous solubility of the compound in pH 2 0.01M HCl incubated under stirred condition for 12 hrs by UV-HPLC analysis	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1603285	Kinetic aqueous solubility of the compound in pH 7.4 phosphate buffer incubated for 4.5 hrs under shaking condition by LC-MS/MS analysis	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1603288	Intrinsic clearance in mouse liver microsomes at 2.5 uL preincubated for 5 mins followed by NADPH addition and measured by LC-MS/MS analysis	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1614912	AUC (0 to infinity) in specific pathogen free ICR mouse at 25 mg/kg, po administered as single dose by HPLC analysis	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1564658	Half life in Sprague-Dawley rat at 2.5 mg/kg, iv measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1759475	Antimycobacterial activity against multidrug resistance Mycobacterium tuberculosis 16833 clinical isolate incubated for 7 days by microplate alamar blue assay	2021	European journal of medicinal chemistry, Jun-05, Volume: 218	Design, synthesis and biological activity of N-(amino)piperazine-containing benzothiazinones against Mycobacterium tuberculosis.
AID1603286	Half life in mouse liver microsomes at 2.5 uL preincubated for 5 mins followed by NADPH addition and measured by LC-MS/MS analysis	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1585115	Antimicrobial activity against Mycobacterium tuberculosis H37Rv after 7 days by MABA	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1564659	Cmax in Sprague-Dawley rat at 2.5 mg/kg, iv measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1510686	Antitubercular activity against multidrug resistant Mycobacterium tuberculosis isolate 9160 assessed as parasite growth inhibition measured after 7 days incubation by microplate alamar blue assay	2019	European journal of medicinal chemistry, Sep-15, Volume: 178	Design, synthesis and biological activity of N-(2-phenoxy)ethyl imidazo[1,2-a]pyridine-3-carboxamides as new antitubercular agents.
AID1564649	Inhibition of CYP3A4 (unknown origin)	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1454454	Elimination half life in ICR mouse at 50 mg/kg, po by HPLC analysis	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1454456	Cmax in ICR mouse at 50 mg/kg, po by HPLC analysis	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1395195	Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC27395 after 7 days by Alamar blue assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Design, synthesis and antitubercular evaluation of benzothiazinones containing a piperidine moiety.
AID1454450	Antitubercular activity against multidrug-resistant Mycobacterium tuberculosis 14231 after 7 days by microplate alamar blue assay	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1564644	Antituberculosis activity against Mycobacterium tuberculosis H37Rv infected in BALB/C mouse assessed as colony forming unit in lungs at 25 mg/kg, po administered once daily via gavage for 5 days per week for 3 weeks starting from 10 days post-infection (R	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1385221	Antitubercular activity against isoniazid/rifampicin-resistant Mycobacterium tuberculosis 14231 clinical isolate measured after 7 days by microplate alamar blue assay
AID1564640	Tmax in ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1585120	Antimicrobial activity against multi drug-resistant Mycobacterium tuberculosis 12611 after 7 days by MABA	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1556642	Tmax in SPF ICR mouse at 25 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents.
AID1454457	AUC (0 to infinity) in ICR mouse at 50 mg/kg, po by HPLC analysis	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1772086	Metabolic stability in human liver microsomes assessed as clearance in presence of NADPH by LC/MS analysis
AID1614913	Cmax in specific pathogen free ICR mouse at 25 mg/kg, po administered as single dose by HPLC analysis	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties.
AID1577421	Antitubercular activity against Mycobacterium tuberculosis H37Rv	2019	Journal of medicinal chemistry, 09-12, Volume: 62, Issue:17	Development of 3,5-Dinitrophenyl-Containing 1,2,4-Triazoles and Their Trifluoromethyl Analogues as Highly Efficient Antitubercular Agents Inhibiting Decaprenylphosphoryl-β-d-ribofuranose 2'-Oxidase.
AID1564669	Cmax in Sprague-Dawley rat at 200 mg/kg, po measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1564638	Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1564648	Inhibition of CYP2D6 (unknown origin)	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1585129	Half life in CD-1 mouse hepatocytes assessed per million cells at 1 uM incubated up to 120 mins by LC-MS/MS analysis	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Identification of novel benzothiopyranone compounds against Mycobacterium tuberculosis through scaffold morphing from benzothiazinones.
AID1827838	Inhibition of Mycobacterium tuberculosis H37Rv recombinant DprE1 expressed in Escherichia coli assessed as formation of resorufin using FPR as substrate by Amplex Red hydrogen/peroxidase coupled assay	2022	ACS medicinal chemistry letters, Apr-14, Volume: 13, Issue:4	Development of 6-Methanesulfonyl-8-nitrobenzothiazinone Based Antitubercular Agents.
AID1603291	Stability of the compound in plasma (unknown origin)	2019	ACS medicinal chemistry letters, Mar-14, Volume: 10, Issue:3	Spirocyclic and Bicyclic 8-Nitrobenzothiazinones for Tuberculosis with Improved Physicochemical and Pharmacokinetic Properties.
AID1385225	Cmax in mouse at 50 mg/kg, po administered as single dose
AID1564674	Oral bioavailability in Sprague-Dawley rat at 50 mg/kg measured upto 24 hrs by HPLC analysis	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
AID1385219	Antitubercular activity against drug-sensitive Mycobacterium tuberculosis H37Rv ATCC 27294 measured after 7 days by microplate alamar blue assay
AID1454452	Cytotoxicity against African green monkey Vero cells assessed as cell viability after 72 hrs by MTT assay	2017	ACS medicinal chemistry letters, Jun-08, Volume: 8, Issue:6	Identification of Better Pharmacokinetic Benzothiazinone Derivatives as New Antitubercular Agents.
AID1564647	Inhibition of CYP1A2 (unknown origin)	2019	European journal of medicinal chemistry, Nov-01, Volume: 181	Identification of benzothiazinones containing an oxime functional moiety as new anti-tuberculosis agents.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	0 (0.00)	29.6817
2010's	26 (52.00)	24.3611
2020's	24 (48.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	7 (14.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	43 (86.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
pyrazinamide pyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.	3.41	1	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
arotinolol arotinolol: structure given in first source; arotinolol is the (+-)-isomer	3.51	1	aromatic amide; thiophenes
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	3.51	1	aromatic ether; nitrile; polyether; tertiary amino compound
clofazimine Clofazimine: A fat-soluble riminophenazine dye used for the treatment of leprosy. It has been used investigationally in combination with other antimycobacterial drugs to treat Mycobacterium avium infections in AIDS patients. Clofazimine also has a marked anti-inflammatory effect and is given to control the leprosy reaction, erythema nodosum leprosum. (From AMA Drug Evaluations Annual, 1993, p1619). clofazimine : 3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients.	5.05	6	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.	2.15	1	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
isoniazid Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).	6.35	17	carbohydrazide	antitubercular agent; drug allergen
nitromide nitromide: antibacterial agent for prevention & treatment of Salmonella pullorum infections in chickens & turkeys & for fowl typhoid & paratyphoid; used in feed; structure	3.23	1
ofloxacin Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.	4	3	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
piperazine [no description available]	2.63	2	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
ono 1078 pranlukast: SRS-A antagonist; leukotriene D4 receptor antagonist	3.51	1	chromones
gatifloxacin Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS.. gatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes.	3.41	1	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
thioridazine Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.. thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.	3.51	1	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
uridine [no description available]	3.23	1	uridines	drug metabolite; fundamental metabolite; human metabolite
carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.	2.6	1	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
cycloserine Cycloserine: Antibiotic substance produced by Streptomyces garyphalus.. D-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis).	3.51	1	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.	2.11	1	pyrrole; secondary amine
adamantane Adamantane: A tricyclo bridged hydrocarbon.	3.23	1	adamantanes; polycyclic alkane
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	3.23	1	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
alpha-aminopyridine alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.	3.23	1
azomycin azomycin: RN given refers to parent cpd with specified locant; structure	3.23	1	C-nitro compound; imidazoles	antitubercular agent
2-nitrofluorene 2-nitrofluorene: RN given refers to cpd with locant with nitro moiety in 2 position. 2-nitrofluorene : A nitroarene that is fluorene substituted by a nitro group at position 2.	2.21	1	nitroarene	carcinogenic agent; mutagen
2-anthramine 2-anthramine: structure	2.21	1	anthracenamine
ethambutol Ethambutol: An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863). ethambutol : An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone.	4	3	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
vancomycin Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.	2.15	1	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
streptomycin [no description available]	2.58	2	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
sodium azide Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid).	2.21	1	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
amoxicillin Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.	3.19	1	penicillin allergen; penicillin	antibacterial drug
amikacin Amikacin: A broad-spectrum antibiotic derived from KANAMYCIN. It is reno- and oto-toxic like the other aminoglycoside antibiotics.. amikacin : An amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group.	2.58	2	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
mefloquine (-)-(11S,2'R)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.	3.51	1	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
nitazoxanide nitazoxanide: a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrug	3.51	1	benzamides; carboxylic ester
fropenem [no description available]	3.51	1	faropenem
ljc 10627 biapenem: structure given in first source. biapenem : A carbapenem antibiotic in which the azetidine and pyrroline rings carry 1-hydroxymethyl and pyrazolo[1,2-a][1,2,4]triazolium-6-ylthio substituents respectively.	3.51	1	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
gentamicin c1a [no description available]	2.58	2	gentamycin C
5-nitro-1,10-phenanthroline 5-nitro-1,10-phenanthroline: structure in first source	3.51	1
2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile [no description available]	2.31	1
moxifloxacin Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent.. moxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.	4	2	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
azd2563 posizolid: an antitubercular agent; structure in first source	3.19	1
nu 6027 [no description available]	3.51	1
meropenem Meropenem: A thienamycin derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of bacterial infections, including infections in immunocompromised patients.. meropenem : A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively.	3.51	1	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
linezolid [no description available]	4.19	2	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
pa 824 pretomanid: nitroimidazopyran derived from 5-nitroimidazoles; a prodrug that requires activation by a bacterial F420-depedent glucose-6-phosphate dehydrogenase (Fgd) and nitroreductase to activate components that then inhibit bacterial mycolic acid and protein synthesis; structure in first source	4.95	5
u 100480 U 100480: structure given in first source	4.86	3
ethionamide Ethionamide: A second-line antitubercular agent that inhibits mycolic acid synthesis.. ethionamide : A thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-oxide.	3.51	1	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
sq-641 SQ-641: a MurX inhibitor with antitubercular activity; structure in first source	3.23	1
sq 109 N-geranyl-N'-(2-adamantyl)ethane-1,2-diamine: has antitubercular activity	5.3	4
amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.	2.15	1	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
menaquinone 6 menaquinone 6: RN given refers to (all-E)-isomer	2.11	1
bedaquiline bedaquiline: a diarylquinoline Antitubercular Agent. bedaquiline : A quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria.	5.77	7	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	2.13	1	cysteinium	fundamental metabolite
opc-67683 OPC-67683: an antitubercular agent	4.72	4	piperidines
tebipenem tebipenem: an oral carbapenem antibiotic, against penicillin-nonsusceptible Streptococcus pneumoniae; structure in first source	3.51	1
2-pyridin-2-yl-4h-1,3-benzothiazin-4-one 2-pyridin-2-yl-4H-1,3-benzothiazin-4-one: a cardioprotective agent; structure in first source	2.11	1
btz 043 [no description available]	5.66	8
btz 043 [no description available]	2.11	1
minocycline Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.. minocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.	3.23	1
tigecycline [no description available]	3.23	1
lymecycline Lymecycline: A semisynthetic antibiotic related to TETRACYCLINE. It is more readily absorbed than TETRACYCLINE and can be used in lower doses.. lymecycline : A tetracycline-based broad-spectrum antibiotic. It is approximately 5000 times more soluble than tetracycline base and is unique amongst tetracyclines in that it is absorbed by the "active transport" process across the intestinal wall.	3.51	1
ceritinib ceritinib: an anaplastic lymphoma kinase inhibitor. ceritinib : A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer.	3.51	1	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cpzen-45 CPZEN-45: caprazamycin derivative; structure in first source	3.23	1
agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.	2.21	1
4,6-dichloro-n-(4,4-dimethylcyclohexyl)-1h-indole-2-carboxamide 4,6-dichloro-N-(4,4-dimethylcyclohexyl)-1H-indole-2-carboxamide: structure in first source	3.51	1
rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)	5.95	16	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
rifabutin [no description available]	3.19	1
amg531 [no description available]	3.51	1

Condition	Indicated	Relationship Strength	Studies
Tuberculosis, Drug-Resistant [description not available]	0	4.61	8
Koch's Disease [description not available]	0	6.5	16
Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.	1	8.5	16
Tuberculosis, Multidrug-Resistant Tuberculosis resistant to chemotherapy with two or more ANTITUBERCULAR AGENTS, including at least ISONIAZID and RIFAMPICIN. The problem of resistance is particularly troublesome in tuberculous OPPORTUNISTIC INFECTIONS associated with HIV INFECTIONS. It requires the use of second line drugs which are more toxic than the first line regimens. TB with isolates that have developed further resistance to at least three of the six classes of second line drugs is defined as EXTENSIVELY DRUG-RESISTANT TUBERCULOSIS.	0	4.61	8
Extensively Drug-Resistant Tuberculosis Tuberculosis resistant to ISONIAZID and RIFAMPIN and at least three of the six main classes of second-line drugs (AMINOGLYCOSIDES; polypeptide agents; FLUOROQUINOLONES; THIOAMIDES; CYCLOSERINE; and PARA-AMINOSALICYLIC ACID) as defined by the CDC.	0	3.33	1
Infections, Mycobacterium [description not available]	0	2.6	1
Atypical Mycobacterial Infection, Disseminated [description not available]	0	3.55	2
Mycobacterium Infections Infections with bacteria of the genus MYCOBACTERIUM.	0	2.6	1
Pulmonary Consumption [description not available]	0	2.21	1
Tuberculosis, Pulmonary MYCOBACTERIUM infections of the lung.	0	2.21	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	2.51	2
Actinomycetoma [description not available]	0	2.11	1
Mycetoma A chronic progressive subcutaneous infection caused by species of fungi (eumycetoma), or actinomycetes (actinomycetoma). It is characterized by tumefaction, abscesses, and tumor-like granules representing microcolonies of pathogens, such as MADURELLA fungi and bacteria ACTINOMYCETES, with different grain colors.	0	2.11	1

pbtz169

Description

Cross-References

Synonyms (37)

Research Excerpts

Overview

Pharmacokinetics

Bioavailability

Dosage Studied

Protein Targets (7)

Inhibition Measurements

Other Measurements

Biological Processes (64)

Molecular Functions (45)

Ceullar Components (10)

Bioassays (187)

Research

Studies (50)

Market Indicators

Research Demand Index: 21.34

Study Types

pbtz169

Description

Cross-References

Synonyms (37)

Research Excerpts

Overview

Pharmacokinetics

Bioavailability

Dosage Studied

Protein Targets (7)

Inhibition Measurements

Other Measurements

Biological Processes (64)

Molecular Functions (45)

Ceullar Components (10)

Bioassays (187)

Research

Studies (50)

Market Indicators

Research Demand Index: 21.34

Study Types

Related Drugs (64)

Related Conditions (13)