Showing entry for Nicardipine Hydrochloride


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0048661
Compound NameNicardipine Hydrochloride
Structure
FormulaC26H29N3O6.ClH
InchiKeyAIKVCUNQWYTVTO-UHFFFAOYSA-N
SMILESCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)N(=O)=O)C(=O)OCCN(Cc1ccccc1)C)C.Cl
InchiInChI=1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H
IUPAC5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydron;chloride
Molecular Weight479.21
Pubchem Id41114
Chembl IdCHEMBL1200326
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 n.a
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
CHEMBL CHEMBL1200326
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
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 12589 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 56 %
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 28183 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 23109 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 10000 nM
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 47754 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 19952 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 31622 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 11220 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 22387 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 1000 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 28183 nM
Q923J1 BXGT019344 Transient receptor potential cation channel subfamily M member 7 reviewed - Trpm7 Inhibition - - -
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 11220 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 5623 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 67 %
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 5011 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency '=' 22387 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 15848 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 17782 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 44668 nM
P0A6C1 BXGT007045 Endonuclease 4 reviewed - nfo Potency '=' 22387 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 39810 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 12589 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 17782 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 17782 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 3981 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 3981 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
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