UCSF

ZINC19899011

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 5.78 -13.2 0 7 0 66 367.357 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0002978A2; EP0046379A1; EP0046711A1; EP0050563A1; EP0073161A1; EP0082369A1; EP0089322A1; EP0092458A2; EP0092459A2; EP0094886A1; EP0105821A1; EP0114770A2; EP0118564A1; EP0118565A1; EP0118566A1; EP0124091A2; EP0130644A1; EP0134461A1; EP0135406A1; EP015827 IBM Patent Data
Therapy GABA antagonist SMDC MicroSource
Target GABA Receptor Selleck Chemicals
mechanism GABA(A)-receptor antagonist IBScreen Bioactives
therap GABAa antagonist MicroSource Spectrum
UniProt Database Links GBR1_CAEEL; GLRA1_DANRE ChEBI
biological_use Mimics epilepsy. IBScreen Bioactives
Target Stromal cell-derived factor 1(P48061)&C-X-C chemokine receptor type 4(P61073)&Caspase-3(P42574)&Gamma-aminobutyric acid type B receptor subunit 1(Q9UBS5)&Aldose reductase(P15121)&Estrogen receptor(P03372)&Cytochrome P450 1A1(P04798)&RAC-alpha serine/threo Herbal Ingredients Targets
biological_use Utilised in the in vitro study of epilepsy. IBScreen Bioactives

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )