UCSF

ZINC00968337

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 22 Yes

Popular Name: Azatadine maleate Azatadine maleate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3964-81-6 , 3978-86-7 , [3964-81-6] , [3978-86-7]

Other Names:

(a)tadine

(a)tadine; -atadine

atadine

11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine; Azatadine

11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

11H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 5,6-dihydro-11-(1-methyl-4-piperidylidene)-, dimaleate; 11H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 5,6-dihydro-11-(1-methyl-4-piperidylidene)-,dimaleate; 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 6,11-dihydro-11-(1-met

3964-81-6

3964-81-6; Azatadine (INN); D07482

3964-81-6; Azatadine; C07774

3978-86-7 (maleate)

3978-86-7; Azatadine maleate (USP); D00662; Optimine (TN)

5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-

6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine

6,11-dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine; Azatadina [INN-Spanish]; Azatadine; Azatadine [INN:BAN]; Azatadinum [INN-Latin]; C20H22N2; Idulian; LS-174797; Optimine; Zadine

AC1L2F0Z

Azatadina

Azatadina [INN-Spanish]

Azatadina [INN-Spanish];Azatadine Maleate;Azatadinum [INN-Latin];Azatidine

azatadina; azatadine; azatadinum

Azatadine

Azatadine (BAN

Azatadine (INN)

Azatadine dimaleate

AZATADINE MALEATE; LS-187859; PSEUDOEPHEDRINE SULFATE; TRINALIN

Azatadine [INN:BAN]

Azatadinum

Azatadinum [INN-Latin]

Azatidine

C07774

C20H22N2

CHEBI:2946

CHEMBL946

CID19861

D07482

DAP001079

DB00719

INN); Azatadine Maleate (FDA

L001081

LS-174797

MFCD00242593

N/A

Optimine

SCH-10649

SCH10649

UNII-94Z39NID6C

USAN

USAN)

USP

USP)

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) 3.47 11.71 -35.92 1 2 1 17 291.418 0 ↓
Lo Low (pH 4.5-6) 3.47 12.07 -90.33 2 2 2 19 292.426 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.13e-01 g/l DrugBank-approved
Therapy H1-antihistamine SMDC Pharmakon
Target Histamine Receptor Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH1-2-E Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH1_RAT P31390 Histamine H1 Receptor, Rat 3.9 0.54 Binding ≤ 1μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 3.9 0.54 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.