ADRIFORANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D65H9YE9VU

Structure
InChI Key ISBHYKVAFKTATD-SNVBAGLBSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Histamine H4 receptor antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - 3467 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1-54 25 2-10 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials
Asthma 1 D001249 ClinicalTrials

Cross References

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