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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.

Cendret V et. al. 2015 (paper)
Synthetic deoxynojirimycin derivatives bearing a thiolated, fluorinated or unsaturated N-alkyl chain: identification of potent α-glucosidase and trehalase inhibitors as well as F508del-CFTR correctors.
Organic & biomolecular chemistry, page 10734-44, volume 13, issue 43, year 2015
"F Becq" "J Désiré" "M Forcella" "J Bertrand" "P Parenti" "C Norez" "V Cendret" "A Kato" "I Adachi" "A Mingot" "T Legigan" "Y Blériot" "S Thibaudeau"
DOI: 10.1039/c5ob01526j
PMID: 26356422


Reference Into Function: The synthesis of eleven 1-deoxynojirimycin (DNJ) derivatives presenting either a monofluoro, difluoro, thiolated or unsaturated N-alkyl chain of various length is described. [...] The synthetic derivatives have been tested for their ability to inhibit glycosidases and correct F508del-CFTR. [...] Two of the unsaturated iminosugars exhibited potency similar to Miglustat as F508del-CFTR correctors.



Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=12
ID: 4
InChIKey: UQRORFVVSGFNRO-UTINFBMNSA-N
SMILES: CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function likely enhances CFTR function
Order of interaction unknown
subcellular compartment ER & Golgi (Translation, quality control, trafficking, PTM)

chemical graph of compound 4


CID is 51634 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/51634

CID is 51634
synonyms found at PubChem are:
Miglustat, Zavesca, N-Butyldeoxynojirimycin, 72599-27-0, NB-DNJ, N-Butylmoranoline, N-butyl-1-deoxynojirimycin, BuDNJ, n-Butyl deoxynojirimycin, Butyldeoxynojirimycin, (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol, n-Butyl dnj, N-(n-Butyl)deoxynojirimycin, SC-48334, Miglustat [USAN], OGT 918, N-Butyl-DNJ, SC 48334, miglustatum, Vevesca, UNII-ADN3S497AZ, Zavesca (TN), OGT-918, 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R,3r,4R,5S)-, N-Bu-DNJ, Miglustat, Hydrochloride, N-Butyl-deoxynojirimycin, SC48334, ADN3S497AZ, CHEMBL1029, CHEBI:50381, D-Glucitol, 1,5-(butylimino)-1,5-dideoxy-, 1,5-Dideoxy-1,5-N-butylimino-D-glucitol, DSSTox_CID_25618, DSSTox_RID_81006, DSSTox_GSID_45618, N-(n-butyl)-1,5-dideoxy-1,5-imino-D-glucitol, 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-, NBV, CAS-72599-27-0, Brazaves, Miglustat [USAN:INN:BAN], NCGC00018140-02, Brazaves (TN), Miglustat (USAN/INN), AC1L1BHJ, D0HR8Z, Miglustat (JAN/USAN/INN), SCHEMBL246893, BICL4040, GTPL4841, DTXSID6045618, BDBM18355, UQRORFVVSGFNRO-UTINFBMNSA-N, HMS2090N20, ZINC3794711, Tox21_110830, 3917AH, AN-010, MFCD00272581, AKOS028109118, Tox21_110830_1, ACN-025888, API0003392, CS-2776, DB00419, NCGC00024452-03, NCGC00024452-04, BC677641, HY-17020, LS-116261, N-(n-Butyl)-1-deoxynojirimycin min. 99%, N-Butyldeoxynojirimycin, film (dried in situ), D05032, AB00489939-10, SR-01000000043, SR-01000000043-2, W-203639, 134282-77-2
ID: 789
InChIKey: HADVYIYJLZSYGH-BZNPZCIMSA-N
SMILES: N(CC=C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 789


CID is 56952612 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/56952612

CID is 56952612
synonyms found at PubChem are:
SCHEMBL366469
ID: 3035
InChIKey: VQWYENSHOSDORF-UTINFBMNSA-N
SMILES: N(CCC#C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 3035



ID: 1197
InChIKey: KRNOSIJCJVCXKU-WRWGMCAJSA-N
SMILES: CCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 1197


CID is 12766473 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/12766473

CID is 12766473
synonyms found at PubChem are:
N-Hexyl-DNJ, SCHEMBL2789051, CHEMBL1651550, BDBM18356, (2R,3R,4R,5S)-1-hexyl-2-(hydroxymethyl)piperidine-3,4,5-triol, (2R)-1-Hexyl-2alpha-(hydroxymethyl)piperidine-3beta,4alpha,5beta-triol
ID: 3064
InChIKey: YQPMMCSWGHFWEY-UTINFBMNSA-N
SMILES: N(CCC=C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 3064



ID: 2888
InChIKey: BXIUMZGBYAQASY-HFYYSOHNSA-N
SMILES: N(CC(C)F)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: Non-effective CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 2888



ID: 3072
InChIKey: ZOZLJFXFSKTQIQ-BZNPZCIMSA-N
SMILES: N(CCC(F)(F)C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: Non-effective CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 3072



ID: 2998
InChIKey: PVGXJMXLVGVBKO-JNSGDMPLSA-N
SMILES: N(CCC(F)C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: Non-effective CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 2998



ID: 3032
InChIKey: VJJQODKBSDDABN-ULAWRXDQSA-N
SMILES: N(CC(F)(F)C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: Non-effective CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 3032



ID: 2645
InChIKey: XVZBPRMCKGPWFX-BZNPZCIMSA-N
SMILES: N(CC#C)1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C1

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 2645


CID is 101518114 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/101518114

CID is 101518114
synonyms found at PubChem are:
1,5-Dideoxy-1,5-(propargylimino)-D-glucitol
ID: 2183
InChIKey: TYXAKMAAZJJHCB-XMTFNYHQSA-N
SMILES: CCCCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 2183


CID is 9818954 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/9818954

CID is 9818954
synonyms found at PubChem are:
N-dodecyldeoxynojirimycin, N-DODECYL-1-DEOXYNOJIRIMYCIN, CHEMBL450985, 79206-22-7, DTXSID20431312, BDBM50242628, ZINC44351037, N-Dodecyl-1-deoxynojirimycin, >=98.0% (TLC), W-203810
ID: 643
InChIKey: FTSCEGKYKXESFF-LXTVHRRPSA-N
SMILES: CCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 643


CID is 501640 the link to PubChem record is https://pubchem.ncbi.nlm.nih.gov/compound/501640

CID is 501640
synonyms found at PubChem are:
N-Nonyldeoxynojirimycin, N-(N-NONYL)DEOXYNOJIRIMYCIN, NN-DNJ, 81117-35-3, N-Nonyl-deoxynojirimycin, (2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol, CHEBI:76399, N-nonyl-1-deoxynojirimycin, N-Nonyl-DNJ, AC1L9V9L, N-Nonyl 1-Deoxynojirimycin, N-(n-Nonyl)-deoxynojirimycin, (2R,3R,4R,5S)-2-(Hydroxymethyl)-1-nonyl-3,4,5-piperidinetriol, BICL4182, CHEMBL408500, SCHEMBL2268575, BDBM18358, CTK8G1326, DTXSID60333407, MolPort-023-276-901, ZINC14253608, NN-DNJ, >=98% (HPLC), AKOS024457751, DB08283, NCGC00182087-01, N-(n-Nonyl)-1-deoxynojirimycin min. 99%, B7472, W-203849, (2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-piperidine-3,4,5-triol, (5S,2R,3R,4R)-2-(Hydroxymethyl)-1-nonylpiperidine-3,4,5-triol, 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-nonyl-, (2R,3R,4R,5S)-