General Information of the Compound
Compound ID
CP0062351
Compound Name
42-548
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Synonyms
Diestet
(+-)-5-(p-Chlorophenyl)-2,5-dihydro-3H-imidazo(2,1-a)isoindol-5-ol
22232-71-9
5-(4-Chlorophenyl)-2,3-dihydro-5-hydroxy-5H-imidazo(2,1-a)isoindole
5-(4-Chlorophenyl)-2,3-dihydro-5-hydroxy-5H-imidazo[2,1-a]isoindole
5-(4-Chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
5-(4-Chlorophenyl)-3,5-dihydro-2H-imidazo[2,1-a]isoindol-5-ol
5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol
5-(p-Chlorophenyl)-2,5-dihydro-3H-imidazo(2,1-a)isoindol-5-ol
5-p-Chlorophenyl-2,3-dihydro-5H-imidazo(2,1-a)isoindol-5-ol
5H-Imidazo(2,1-a)isoindol-5-ol, 5-(4-chlorophenyl)-2,3-dihydro
AN 448
AN 448;AN448
AN-448
BRN 0546547
CCRIS 3152
CHEMBL781
DEA No 1605
Dimagrir
EINECS 244-857-0
HSDB 3112
Magrilon
Mazanor
Mazanor (TN)
Mazildene
Mazindol
Mazindol (JAN/USP/INN)
Mazindol Medix Brand
Mazindol Novartis Brand
Mazindol Searle Brand
Mazindol Wyeth Brand
Mazindol [USAN:BAN:INN]
Mazindole
Mazindolum
Mazindolum [INN-Latin]
Medix Brand of Mazindol
Novartis Brand of Mazindol
S 42548
SA 42-548
SAH 42548
SANOREX (TN)
Sanjorex
Sanorex
Sanorex (TN)
Searle Brand of Mazindol
Solucaps
Terenac
Teronac
Teronak
Wyeth Brand of Mazindol
[3H]mazindol
mazindol
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Structure
Formula
C16H13ClN2O
Molecular Weight
284.746
Canonical SMILES
OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
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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
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InChIKey
ZPXSCAKFGYXMGA-UHFFFAOYSA-N
CAS
22232-71-9
Physicochemical Property
logP
2.6092
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
35.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 4020
SID: 99431540
ChEMBL ID
CHEMBL781
DrugBank ID
DB00579
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  4
1
Activity = 22.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 22 nM
   TI
   LI
   LO
   TS
3
IC50 = 22.1 nM
   TI
   LI
   LO
   TS
4
Ki = 22.1 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  5
1
IC50 = 13 nM
   TI
   LI
   LO
   TS
2
IC50 = 43 nM
   TI
   LI
   LO
   TS
3
Ki = 34.6 nM
   TI
   LI
   LO
   TS
4
Ki = 45 nM
   TI
   LI
   LO
   TS
5
Ki = 74.2 nM
   TI
   LI
   LO
   TS
CL001018 HEK-hDAT Homo sapiens (Human)  1
1
Ki = 45 nM
   TI
   LI
   LO
   TS
Protein ID: PT03401, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 13 nM
   TI
   LI
   LO
   TS
2
Ki = 404 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  5
1
IC50 = 0.92 nM
   TI
   LI
   LO
   TS
2
IC50 = 4.9 nM
   TI
   LI
   LO
   TS
3
Ki = 11.3 nM
   TI
   LI
   LO
   TS
4
Ki = 13.5 nM
   TI
   LI
   LO
   TS
5
Ki = 18 nM
   TI
   LI
   LO
   TS
CL001017 HEK-hNET Homo sapiens (Human)  1
1
Ki = 18 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  5
1
IC50 = 54 nM
   TI
   LI
   LO
   TS
2
IC50 = 94 nM
   TI
   LI
   LO
   TS
3
Ki = 45 nM
   TI
   LI
   LO
   TS
4
Ki = 50 nM
   TI
   LI
   LO
   TS
5
Ki = 136 nM
   TI
   LI
   LO
   TS
CL001019 HEK-hSERT Homo sapiens (Human)  1
1
Ki = 50 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Mazindol )
Drug Name Mazindol
Indication
Obesity
Approved
Target(s)
Norepinephrine transporter (NET)
Modulator