NALTRINDOLE

ID: ALA567175

Max Phase: Preclinical

Molecular Formula: C26H26N2O3

Molecular Weight: 414.51

Molecule Type: Small molecule

Associated Items:

Representations

Synonyms (1): Naltrindole
Synonyms from Alternative Forms(1):

    Canonical SMILES:  Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314

    Standard InChI:  InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1

    Standard InChI Key:  WIYUZYBFCWCCQJ-IFKAHUTRSA-N

    Associated Targets(Human)

    Opioid receptors; mu & delta 1530 Activities

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    Opioid receptors; delta & kappa 935 Activities

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    Delta opioid receptor 15096 Activities

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    Mu opioid receptor 19785 Activities

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    Kappa opioid receptor 16155 Activities

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    Opioid receptors; mu & kappa 822 Activities

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    Opioid receptors; mu/kappa/delta 568 Activities

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    Nociceptin receptor 3823 Activities

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    UDP-glucuronosyltransferase 2B7 787 Activities

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    Solute carrier organic anion transporter family member 1A2 104 Activities

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    Sigma opioid receptor 6358 Activities

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    Sigma intracellular receptor 2 973 Activities

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    Associated Targets(non-human)

    Mus musculus 284745 Activities

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    Cavia porcellus 23802 Activities

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    Kappa opioid receptor 4577 Activities

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    Delta opioid receptor 3127 Activities

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    Mu opioid receptor 3620 Activities

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    Delta opioid receptor 3911 Activities

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    Mu opioid receptor 6060 Activities

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    Opioid receptors; mu & delta 878 Activities

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    Opioid receptor 338 Activities

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    Kappa opioid receptor 774 Activities

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    Mu opioid receptor 123 Activities

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    Mu opioid receptor 1674 Activities

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    Kappa opioid receptor 991 Activities

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    Opioid receptors; mu and delta 70 Activities

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    Rattus norvegicus 775804 Activities

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    Plasmodium chabaudi 121 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Trichomonas vaginalis 2376 Activities

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    Replicase polyprotein 1ab 11336 Activities

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    SARS-CoV-2 38078 Activities

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    Molecule Features

    Natural Product: YesOral: NoChemical Probe: NoParenteral: No
    Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
    Chirality: NoAvailability: NoProdrug: No

    Drug Indications

    MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

    Mechanisms of Action

    Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

    Properties

    Molecular Weight: 414.51Molecular Weight (Monoisotopic): 414.1943AlogP: 3.57#Rotatable Bonds: 2
    Polar Surface Area: 68.72Molecular Species: BASEHBA: 4HBD: 3
    #RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 3#RO5 Violations (Lipinski): 0
    CX Acidic pKa: 10.13CX Basic pKa: 8.64CX LogP: 3.07CX LogD: 1.98
    Aromatic Rings: 3Heavy Atoms: 31QED Weighted: 0.60Np Likeness Score: 1.29

    References

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