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  • Laporan Hasil Pengamatan Praktikum Kimia Medisinal (Kim-403)

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    maulida kurniawati
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    The document reports on an experiment to predict the pharmacokinetic properties and toxicity of N-benzoyl-N'-(4-fluorophenyl)-thiourea. The experiment used computer programs to model the molecular structure and predict absorption, distribution, metabolism, excretion, and toxicity. The predicted values were generally consistent with literature values. Absorption was predicted to be high (>89%) and renal and hepatic toxicity were predicted to be low. This suggests the compound has favorable pharmacokinetic properties and low toxicity.

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    The document reports on an experiment to predict the pharmacokinetic properties and toxicity of N-benzoyl-N'-(4-fluorophenyl)-thiourea. The experiment used computer programs to model the molecular structure and predict absorption, distribution, metabolism, excretion, and toxicity. The predicted values were generally consistent with literature values. Absorption was predicted to be high (>89%) and renal and hepatic toxicity were predicted to be low. This suggests the compound has favorable pharmacokinetic properties and low toxicity.

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    32 views2 pages

    Laporan Hasil Pengamatan Praktikum Kimia Medisinal (Kim-403)

    Uploaded by

    maulida kurniawati
    The document reports on an experiment to predict the pharmacokinetic properties and toxicity of N-benzoyl-N'-(4-fluorophenyl)-thiourea. The experiment used computer programs to model the molecular structure and predict absorption, distribution, metabolism, excretion, and toxicity. The predicted values were generally consistent with literature values. Absorption was predicted to be high (>89%) and renal and hepatic toxicity were predicted to be low. This suggests the compound has favorable pharmacokinetic properties and low toxicity.

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    of 2

    LAPORAN HASIL PENGAMATAN

    PRAKTIKUM KIMIA MEDISINAL (KIM-403)

    Nama percobaan : PREDIKSI SIFAT FARMAKOKINETIKA DAN TOKSISITAS OBAT


    Hari, tgl percobaan : Kamis, 18 Oktober 2018
    Dilaporkan oleh : NIM :
    Kelas/Kelompok : C/1
    Program :
    - ..
    - ..
    - ..

    Memprediksi sifat farmakokinetika dari senyawa: N-benzoyl-N’-(4-fluorophenyl)-thiourea


    Senyawa : N-benzoyl-N’-(4-fluorophenyl)-thiourea
    Hasil Pengamatan : Molecule properties:
    F Descriptor Value
    O S Molecular Weight 274.32
    LogP 2.9525
    N N Predicted Value #Rotatable Bonds 2
    H H
    Property Model Name #Acceptors Unit 2
    Program Literatur
    #Donors 2
    N-Benzoyl-N'-(4-fluorophenyl)-thiourea
    Surface Area 115.004
    Caco2 Numeric (log Papp in
    Absorption 1.366 1,21 [2]
    permeability 10-6 cm/s)

    Intestinal
    69.73 - 94.37
    Absorption absorption 89.798 [2] Numeric (% Absorbed)
    (human)

    Distribution VDss (human) -0.176 -0,37 [1] Numeric (log L/kg)

    Distribution BBB permeability 0.359 0,25 [3][4] Numeric (log BB)

    Metabolism CYP2D6 inhibitior No No [2] Categorical (Yes/No)

    Metabolism CYP3A4 inhibitior No No [2] Categorical (Yes/No)

    Numeric (log
    Excretion Total Clearance -0.431 -0,34 [2]
    ml/min/kg)

    Renal OCT2
    Excretion No No [2] Categorical (Yes/No)
    substrate

    Toxicity AMES toxicity No No [1] Categorical (Yes/No)

    Oral Rat Acute


    Toxicity 2.092 1500 mg/kg [2] Numeric (mol/kg)
    Toxicity (LD50)
    Predicted Value
    Property Model Name Unit
    Program Literatur

    Toxicity Hepatotoxicity No No [2] Categorical (Yes/No)

    Daftar Pustaka

    [1] JIFI.2016.Jurnal Ilmu Kefarmasian Indonesia. Volume 14 Nomor 2. Jakarta: Fakultas


    Farmasi Universitas Pancasila.

    [2] Hardjono, S., Siswandono, S. and Andayani, R., 2017. Evaluation of N-benzoylthiourea
    derivatives as possible analgesic agents by predicting their physicochemical and
    pharmacokinetic properties, toxicity, and analgesic activity. Indonesian Journal of
    Biotechnology, 22(2), pp.76-85.

    [3] Hardjono, S., 2017. Prediksi Sifat Farmakokinetik, Toksisitas dan Aktivitas Sitotoksik
    Turunan N-Benzoil-N’-(4-fluorofenil) tiourea sebagai Calon Obat Antikanker melalui
    Pemodelan Molekul. Jurnal Ilmu Kefarmasian Indonesia, 14(2), pp.246-255.

    [4] Pires, D.E.V., Blundell, T.L., and Ascher, D.B., 2015. pkCSM Predicting Small-Molecule
    Pharmacokinetic and Toxicity Properties Using Graph-Based Signature, Journal of
    Medical Chemistry, 58, pp.4066-4072.

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