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Inhibitor Report for: 17-desoxypancuronium

Dacuronium, 17-desoxy analog of pancuronium 17-desoxy analog of pancuronium


General
Type Nicotinic antagonist, Neuromuscular Nondepolarizing Agents, Not A/B H target, Acetate, Phenanthrene
Chemical_Nomenclature [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Canonical SMILES CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5O)[N+]6(CCCCC6)C)C
InChI InChI=1S/C33H58N2O3/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34/h24-31,37H,6-22H2,1-5H3/q+2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
InChIKey XQFBAGUGBNQLRT-ZZZJANDJSA-N XQFBAGUGBNQLRT-KEEQEOMKSA-N SUKULMJPMHYWKC-VMDJIQQCSA-L SUKULMJPMHYWKC-GMMLHHOXSA-L SUKULMJPMHYWKC-ASCUVKKQSA-L
Other name(s) 17-desoxypancuronium ; Dacuronium ; NB68 ; UNII-VD6L56ZVX1 ; AC1L54NO ; VD6L56ZVX1 ; CHEMBL3138543 ; Org 6368
________________________________________________________________________________________________
MW|530.82
Formula|C33H58N2O3+2
CAS_number|43021-45-0
PubChem|218421, 56840934, 56840933, 14029396, 71705
UniChem|XQFBAGUGBNQLRT-ZZZJANDJSA-N, XQFBAGUGBNQLRT-KEEQEOMKSA-N, SUKULMJPMHYWKC-VMDJIQQCSA-L, SUKULMJPMHYWKC-GMMLHHOXSA-L, SUKULMJPMHYWKC-ASCUVKKQSA-L
IUPHAR|
Wikipedia|

Target
Families | 17-desoxypancuronium ligand of proteins in family: BCHE

References:
Search PubMed for references concerning: 17-desoxypancuronium
    Title: Genetic variants of human serum cholinesterase influence metabolism of the muscle relaxant succinylcholine.
    Lockridge O
    Ref: Pharmacol Ther, 47:35, 1990 : PubMed

            

    Title: Differential inhibition of plasma cholinesterase variants using the dibutyrate analogue of pancuronium bromide
    Whittaker M, Britten JJ
    Ref: Hum Hered, 31:242, 1981 : PubMed

            

    Title: The activity of various esterase inhibitors towards atypical human serum cholinesterase
    Kalow W, Davies R0
    Ref: Biochemical Pharmacology, 1:183, 1958 : PubMed

            


human-BCHE
MutationKiKsiIc50SubstrateConditionPaper
D70G - - 24 uM   Lockridge_1990_Pharmacol.Ther_47_35
WT - - 0.13 uM   Lockridge_1990_Pharmacol.Ther_47_35

WT Kinetics
Kinetic parametersKiKsiIc50SubstrateConditionsPapers
human-BCHE--0.13 uM  Lockridge_1990_Pharmacol.Ther_47_35