CARBINOXAMINE MALEATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 02O55696WH
EPA CompTox DTXSID0047828

Structure

InChI Key GVNWHCVWDRNXAZ-BTJKTKAUSA-N
Smiles CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23ClN2O5
Molecular Weight 406.87
AlogP 3.4
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 25.36
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 85.11-96.23
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 85.11-96.23

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 31353
ChEMBL CHEMBL1200974
FDA SRS 02O55696WH
Guide to Pharmacology 7139
KEGG C06871
PubChem 5282409
SureChEMBL SCHEMBL97703
ZINC ZINC00002043
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