Showing entry for Nalidixic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0038233
Compound NameNalidixic Acid
Structure
FormulaC12H12N2O3
InchiKeyMHWLWQUZZRMNGJ-UHFFFAOYSA-N
SMILESCCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2
InchiInChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
IUPAC1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular Weight232.08
Pubchem Id4421
Chembl IdCHEMBL5
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 21691
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT006374 DNA gyrase subunit A reviewed gyrA - 149000 - -
reviewed BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 - >10000 - -
reviewed BXGT007329 DNA gyrase subunit A reviewed gyrA - 100000 - -
reviewed BXGT007329 DNA gyrase subunit A reviewed gyrA - 223000 - -
reviewed BXGT007329 DNA gyrase subunit A reviewed gyrA - 52 - -
CHEMBL CHEMBL5
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P0AES4 BXGT007329 DNA gyrase subunit A reviewed - gyrA IC50 '=' 52 ug.mL-1
P0AES6 BXGT007331 DNA gyrase subunit B reviewed - gyrB IC50 '=' 52 ug.mL-1
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 63 %
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 2818 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 2818 nM
O35956 BXGT004543 Solute carrier family 22 member 6 reviewed - Slc22a6 Inhibition '>' 85 %
P0AES4 BXGT007329 DNA gyrase subunit A reviewed - gyrA IC50 '>' 100 ug.mL-1
P0AES6 BXGT007331 DNA gyrase subunit B reviewed - gyrB IC50 '>' 100 ug.mL-1
Q02880 BXGT012677 DNA topoisomerase 2-beta reviewed - TOP2B MIC '>' 100 ug.mL-1
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 29092 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 0 %
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 7079 nM
P0AES4 BXGT007329 DNA gyrase subunit A reviewed - gyrA IC50 '=' 100000 nM
P0AES6 BXGT007331 DNA gyrase subunit B reviewed - gyrB IC50 '=' 100000 nM
P0AES4 BXGT007329 DNA gyrase subunit A reviewed - gyrA MIC '=' 50 ug.mL-1
P0AES6 BXGT007331 DNA gyrase subunit B reviewed - gyrB MIC '=' 50 ug.mL-1
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 4109 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 4109 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 4109 nM
Q02880 BXGT012677 DNA topoisomerase 2-beta reviewed - TOP2B CC50 '=' 41 ug.mL-1
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 2511 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 2818 nM
P0AES4 BXGT007329 DNA gyrase subunit A reviewed - gyrA MIC '=' 2 ug.mL-1
P0AES6 BXGT007331 DNA gyrase subunit B reviewed - gyrB MIC '=' 2 ug.mL-1
P9WG47 BXGT012264 DNA gyrase subunit A reviewed - gyrA IC50 '=' 4750000 nM
P9WG45 BXGT012263 DNA gyrase subunit B reviewed - gyrB IC50 '=' 4750000 nM
C3SLN2 BXGT002447 DNA gyrase subunit B unreviewed - gyrB IC50 '=' 215000 nM
Q47245 BXGT014704 DNA gyrase subunit A unreviewed - gyrA IC50 '=' 215000 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 79432 nM
Q02880 BXGT012677 DNA topoisomerase 2-beta reviewed - TOP2B IC50 '=' 52 ug.mL-1
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 125 nM
Q02880 BXGT012677 DNA topoisomerase 2-beta reviewed - TOP2B MIC '=' 6 ug.mL-1
P0AES4 BXGT007329 DNA gyrase subunit A reviewed - gyrA Min concentration '=' 50 ug ml-1
P0AES6 BXGT007331 DNA gyrase subunit B reviewed - gyrB Min concentration '=' 50 ug ml-1
Q64133 BXGT016109 Amine oxidase [flavin-containing] A reviewed - Maoa Activity - - -
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 IC50 '=' 133000 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 12589 nM
P0AES4 BXGT007329 DNA gyrase subunit A reviewed - gyrA IC100 '=' 200 ug ml-1
P0AES6 BXGT007331 DNA gyrase subunit B reviewed - gyrB IC100 '=' 200 ug ml-1
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -8 %
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 31622 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 22387 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 11220 nM
P10145 BXGT007542 Interleukin-8 reviewed Signaling CXCL8 Potency - 74978 nM
P0AES4 BXGT007329 DNA gyrase subunit A reviewed - gyrA IC0 '=' 25 ug ml-1
P0AES6 BXGT007331 DNA gyrase subunit B reviewed - gyrB IC0 '=' 25 ug ml-1
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 88 %
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 8912 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 3981 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Inhibition '=' 34 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2310 nM
O15438 BXGT004168 Canalicular multispecific organic anion transporter 2 reviewed Transporter ABCC3 IC50 '=' 133000 nM
O95342 BXGT005373 Bile salt export pump reviewed Transporter ABCB11 IC50 '=' 133000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '>' 10000 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 8912 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 81 %
O15439 BXGT004169 Multidrug resistance-associated protein 4 reviewed Transporter ABCC4 IC50 '=' 57500 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 8 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05365 Aconitum carmichaelii Aconitum carmichaelii Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease