naltriben   Click here for help

GtoPdb Ligand ID: 1640

Abbreviated name: NTB
Synonyms: naltrindole benzofuran
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 66.07
Molecular weight 415.18
XLogP 2.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)Cc2c1oc1c2cccc1)CC1CC1
Isomeric SMILES Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1oc1c2cccc1)CC1CC1
InChI InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
InChI Key ZHVWWEYETMPAMX-IFKAHUTRSA-N
References
1. Hofmann T, Schäfer S, Linseisen M, Sytik L, Gudermann T, Chubanov V. (2014)
Activation of TRPM7 channels by small molecules under physiological conditions.
Pflugers Arch, 466 (12): 2177-89. [PMID:24633576]
2. Neilan CL, Akil H, Woods JH, Traynor JR. (1999)
Constitutive activity of the delta-opioid receptor expressed in C6 glioma cells: identification of non-peptide delta-inverse agonists.
Br J Pharmacol, 128 (3): 556-62. [PMID:10516632]
3. Raynor K, Kong H, Chen Y, Yasuda K, Yu L, Bell GI, Reisine T. (1994)
Pharmacological characterization of the cloned kappa-, delta-, and mu-opioid receptors.
Mol Pharmacol, 45 (2): 330-4. [PMID:8114680]
4. Sofuoglu M, Portoghese PS, Takemori AE. (1991)
Differential antagonism of delta opioid agonists by naltrindole and its benzofuran analog (NTB) in mice: evidence for delta opioid receptor subtypes.
J Pharmacol Exp Ther, 257 (2): 676-80. [PMID:1851833]
5. Toll L, Berzetei-Gurske IP, Polgar WE, Brandt SR, Adapa ID, Rodriguez L, Schwartz RW, Haggart D, O'Brien A, White A et al.. (1998)
Standard binding and functional assays related to medications development division testing for potential cocaine and opiate narcotic treatment medications.
NIDA Res Monogr, 178: 440-66. [PMID:9686407]