CPQ

N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE

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is present as a standalone ligand in 15 entries

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Chemical Component Summary
Name	N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
Synonyms	DEOXY-BIGCHAP
Identifiers	(2R,3S,4R,5R)-N-[3-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]amino]propyl]-2,3,4,5,6-pentahydroxy-hexanamide
Formula	C₄₂ H₇₅ N₃ O₁₅
Molecular Weight	862.056
Type	NON-POLYMER
Isomeric SMILES	C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI	InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1
InChIKey	OJSUWTDDXLCUFR-HGZMBBKESA-N

Chemical Details
Formal Charge	0
Atom Count	135
Chiral Atom Count	18
Bond Count	138
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB01890
Name	N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide
Groups	experimental
Synonyms	Deoxy-bigchap N,N'-((((3alpha,5beta,12alpha)-3,12-Dihydroxy-24-oxocholan-24-yl)imino)di-3,1-propandiyl)bis-D-gluconamide N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide D-Gluconamide, N,N'-((((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)imino)di-3,1-propanediyl)bis-
CAS number	86303-23-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Insulin-like growth factor I	MGKISSLPTQLFKCCFCDFLKVKMHTMSSSHLFYLALCLLTFTSSATAGP...	unknown
Peroxisome proliferator-activated receptor alpha	MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682