PROMETHAZINE

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Synonyms
Status
Molecule Category Free-form
ATC D04AA10 R06AD02
UNII FF28EJQ494
EPA CompTox DTXSID7023518

Structure

InChI Key PWWVAXIEGOYWEE-UHFFFAOYSA-N
Smiles CC(CN1c2ccccc2Sc2ccccc21)N(C)C
InChI
InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N2S
Molecular Weight 284.43
AlogP 4.24
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 61
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 100 - - 84-95
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 5.4 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 23 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 71.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 61
Homo sapiens
264 5.4-100 - - 71.1-95
Plasmodium falciparum
- 400 - - -

Related Entries

Cross References

Resources Reference
CAS NUMBER 60-87-7
ChEBI 8461
ChEMBL CHEMBL643
DrugBank DB01069
DrugCentral 2286
FDA SRS FF28EJQ494
Human Metabolome Database HMDB0015202
Guide to Pharmacology 7282
KEGG C07404
PharmGKB PA451128
PubChem 4927
SureChEMBL SCHEMBL4700
CONTENTS