UCSF

ZINC00000440

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 20 Yes

Popular Name: MAZINDOL MAZINDOL

Find On: PubMed — Wikipedia — Google

CAS Number: 22232-71-9

Other Names:

(+-)-5-(p-Chlorophenyl)-2,5-dihydro-3H-imidazo(2,1-a)isoindol-5-ol

22232-71-9

22232-71-9; D00367; Mazindol (JAN/USP/INN); Sanorex (TN)

3H-Imidazo(2,1-a)isoindol-5-ol, 2,5-dihydro-5-(4-chlorophenyl)-

3H-Imidazo(2,1-a)isoindol-5-ol, 5-(4-chlorophenyl)-2,5-dihydro-

3H-Imidazo(2,1-a)isoindol-5-ol, 5-(4-chlorophenyl)-2,5-dihydro-, (+-)-

3H-Imidazo(2,1-a)isoindol-5-ol, 5-(4-chlorophenyl)-2,5-dihydro-, monohydrochloride; 5-(4-Chlorophenyl)-2,5-dihydro-3H-Imidazo(2,1-a)isoindol-5-ol monohydrochloride; LS-77866; Mazindol hydrochloride

3H-Imidazo(2,1-a)isoindol-5-ol, 5-(p-chlorophenyl)-2,5-dihydro-

3H-Imidazo[2,1-a]isoindol-5-ol, 5-(4-chlorophenyl)-2,5-dihydro-

42-548

5-(4-Chlorophenyl)-2,3-dihydro-5-hydroxy-5H-imidazo(2,1-a)isoindole

5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

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-(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

5-[4-CHLOROPHENYL]-2,5-DIHYDRO-3H-IMIDAZO[2,1-A]IS

5-[4-CHLOROPHENYL]-2,5-DIHYDRO-3H-IMIDAZO[2,1-A]ISOINDOL-5-OL

5H-Imidazo(2,1-a)isoindol-5-ol, 5-(4-chlorophenyl)-2,3-dihydro

AC-12511

AC1L1H8E

AN 448

AN-448

AN448

BAN

BRN 0546547

CCRIS 3152

CHEBI:146385

CHEMBL781

CID4020

D00367

D008454

DAP000722

DB00579

DEA No. 1605

Diestet

Dimagrir

EINECS 244-857-0

FDA

HSDB 3112

I06-0844

INN

LS-77865

M2017_SIGMA

Magrilon

Mazanor

Mazildene

Mazindol

Mazindol (BAN

Mazindol (FDA

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

MFCD00864480

MolPort-003-958-662

Novartis Brand of Mazindol

S 42548

SA 42-548

SAH 42548

Sanjorex

Sanorex

SANOREX (TN)

Searle Brand of Mazindol

Solucaps

Terenac

Teronac

Teronak

UNII-C56709M5NH

USAN

USP)

Wyeth Brand of Mazindol

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 -3.46 -30.23 2 3 1 37 285.754 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.39e-01 g/l DrugBank-approved

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9WTR4-1-E Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.63 Binding ≤ 10μM
SC6A2-2-E Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic Eukaryotes 18 0.54 Binding ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 3), Eukaryotic Eukaryotes 45 0.51 Binding ≤ 10μM
SC6A4-1-E Serotonin Transporter (cluster #1 Of 4), Eukaryotic Eukaryotes 248 0.46 Binding ≤ 10μM
SC6A2-2-E Norepinephrine Transporter (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.58 Functional ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.52 Functional ≤ 10μM
SC6A4-1-E Serotonin Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 94 0.49 Functional ≤ 10μM
Z80936-1-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other Other 94 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 22 0.54 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 12.94 0.55 Binding ≤ 1μM
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 0.8 0.64 Binding ≤ 1μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 18 0.54 Binding ≤ 1μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 231 0.46 Binding ≤ 1μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 50 0.51 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 12.94 0.55 Binding ≤ 10μM
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 22 0.54 Binding ≤ 10μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 18 0.54 Binding ≤ 10μM
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 0.8 0.64 Binding ≤ 10μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 50 0.51 Binding ≤ 10μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 231 0.46 Binding ≤ 10μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 8.4 0.57 Functional ≤ 10μM
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 42.6 0.52 Functional ≤ 10μM
Z80936 Z80936 HEK293 (Embryonic Kidney Fibroblasts) 4.9 0.58 Functional ≤ 10μM
SC6A2_HUMAN P23975 Norepinephrine Transporter, Human 4.9 0.58 Functional ≤ 10μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 94 0.49 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine clearance from the synaptic cleft
Na+/Cl- dependent neurotransmitter transporters

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )