ZIMELDINE HYDROCHLORIDE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII 2T97D1P85R
EPA CompTox DTXSID7045815

Structure

InChI Key WFUAVXYXJOQWAZ-GVKRCPFFSA-N
Smiles CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl.O
InChI
InChI=1S/C16H17BrN2.2ClH.H2O/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;;;/h3-10,12H,11H2,1-2H3;2*1H;1H2/b16-9-;;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21BrCl2N2O
Molecular Weight 408.17
AlogP 3.84
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Serotonin (5-HT) receptor antagonist ANTAGONIST PubMed PubMed PubMed PubMed PubMed

Target Conservation

Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3E
Organism : Homo sapiens
A5X5Y0 ENSG00000186038
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3B
Organism : Homo sapiens
O95264 ENSG00000149305
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1A
Organism : Homo sapiens
P08908 ENSG00000178394
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1D
Organism : Homo sapiens
P28221 ENSG00000179546
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1B
Organism : Homo sapiens
P28222 ENSG00000135312
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1E
Organism : Homo sapiens
P28566 ENSG00000168830
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 1F
Organism : Homo sapiens
P30939 ENSG00000179097
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 7
Organism : Homo sapiens
P34969 ENSG00000148680
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 2B
Organism : Homo sapiens
P41595 ENSG00000135914
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3A
Organism : Homo sapiens
P46098 ENSG00000166736
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 5A
Organism : Homo sapiens
P47898 ENSG00000157219
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 6
Organism : Homo sapiens
P50406 ENSG00000158748
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 4
Organism : Homo sapiens
Q13639 ENSG00000164270
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3D
Organism : Homo sapiens
Q70Z44 ENSG00000186090
Protein: Serotonin (5-HT) receptor
Description: 5-hydroxytryptamine receptor 3C
Organism : Homo sapiens
Q8WXA8 ENSG00000178084

Cross References

Resources Reference
ChEMBL CHEMBL2355333
FDA SRS 2T97D1P85R
PubChem 6420041
SureChEMBL SCHEMBL1972313
CONTENTS