DABUZALGRON

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LGX4GZ74WO

Structure
InChI Key FOYWMEJSRSBQGB-UHFFFAOYSA-N
Smile Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O
InChI
InChI=1S/C12H16ClN3O3S/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18/h3-4,16H,5-7H2,1-2H3,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16ClN3O3S
Molecular Weight 317.8
AlogP 1.4
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 79.79
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Alpha-1a adrenergic receptor partial agonist 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 Adrenergic receptor
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Cross References

Resources Reference
ChEBI 142452
ChEMBL CHEMBL257978
EPA CompTox DTXSID50176345
FDA SRS LGX4GZ74WO
Guide to Pharmacology 3469
PubChem 216249
SureChEMBL SCHEMBL5203336
ZINC ZINC000049952320
CONTENTS