Mazindol
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Basic Info
| FADB-China ID | C0473 |
| Substance Name | Anorexics |
| Substance Chinese Name | 抑制食欲药物 |
| Molecular Name | Mazindol |
| Molecular Chinese Name | 氯苯咪吲哚 |
| 2D Structure | |
| CAS Number | 22232-71-9 |
| PubChem CID | 4020 |
| Formula | C16H13ClN2O |
| IUPAC Name | 5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol |
| InChI Key | ZPXSCAKFGYXMGA-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 |
| Canonical SMILES | C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O |
| Isomeric SMILES | C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O |
| CFM-ID 3.0 | URL Link |
| Related links | Processing |
| Addition Purposes | Enhance health care function |
| Molecular Synonyms |
Mazindol
Mazanor
Teronac
22232-71-9
Mazildene
Magrilon
Dimagrir
Mazindole
Sanorex
Mazindolum
|
| Data Uploader | Shuyu Ouyang |
| Update Date | Jul 25, 2019 20:46 |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 284.74 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Complexity | 419 |
| Monoisotopic Mass | 284.0716407 |
| Exact Mass | 284.0716407 |
| XLogP | 2.2 |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9757 |
| Human Intestinal Absorption | HIA+ | 0.9793 |
| Caco-2 Permeability | Caco2+ | 0.5286 |
| P-glycoprotein Substrate | Substrate | 0.5816 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.7523 |
| Inhibitor | 0.7127 | |
| Renal Organic Cation Transporter | Inhibitor | 0.7465 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.7706 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.7257 |
| CYP450 2D6 Substrate | Non-substrate | 0.7107 |
| CYP450 3A4 Substrate | Substrate | 0.6461 |
| CYP450 1A2 Inhibitor | Inhibitor | 0.6150 |
| CYP450 2C9 Inhibitor | Inhibitor | 0.5000 |
| CYP450 2D6 Inhibitor | Inhibitor | 0.5000 |
| CYP450 2C19 Inhibitor | Inhibitor | 0.5270 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.7389 |
| CYP Inhibitory Promiscuity | High CYP Inhibitory Promiscuity | 0.5420 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9837 |
| Inhibitor | 0.5621 | |
| AMES Toxicity | Non AMES toxic | 0.6859 |
| Carcinogens | Non-carcinogens | 0.8924 |
| Fish Toxicity | Low FHMT | 0.7886 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9515 |
| Honey Bee Toxicity | Low HBT | 0.8217 |
| Biodegradation | Not ready biodegradable | 1.0000 |
| Acute Oral Toxicity | II | 0.7921 |
| Carcinogenicity (Three-class) | Non-required | 0.6403 |
ADMET -- Regression
| Model | Value | Unit |
|---|---|---|
| Aqueous solubility | -3.7653 | LogS |
| Caco-2 Permeability | 1.0562 | LogPapp, cm/s |
| Rat Acute Toxicity | 3.1216 | LD50, mol/kg |
| Fish Toxicity | 1.4879 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.9369 | pIGC50, ug/L |
Related Foods
| FADB-China ID | F0142 |
| Food Image |  |
| Food Name | Plant food supplements |
| Food Chinese Name | 植物食品补充剂 |
| Food Type | Processed food |
| References | Adulteration of Dietary Supplements by the Illegal Addition of Synthetic Drugs: A Review |