ADRIFORANT

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Synonyms
Status
Molecule Category Free-form
UNII D65H9YE9VU

Structure

InChI Key ISBHYKVAFKTATD-SNVBAGLBSA-N
Smiles CN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1
InChI
InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H22N6
Molecular Weight 262.36
AlogP 0.68
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 79.1
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Histamine H4 receptor antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 0.65-53.7 25.12 1.56-186.21 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 123.03-123.03 -
Homo sapiens
- 0.65-53.7 25.12 1.56-186.21 -
Macaca mulatta
- - - 15.49-15.49 -
Mus musculus
- - - 20.89-54.95 -
Rattus norvegicus
- - - 12.3-54.95 -

Target Conservation

Protein: Histamine H4 receptor
Description: Histamine H4 receptor
Organism : Homo sapiens
Q9H3N8 ENSG00000134489

Cross References

Resources Reference
ChEMBL CHEMBL1915540
DrugBank DB15027
FDA SRS D65H9YE9VU
Guide to Pharmacology 8985
SureChEMBL SCHEMBL12604990
ZINC ZINC000073196039
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