UCSF

ZINC03872753

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) -0.42 2.83 -58.8 2 3 0 57 127.143 1

Vendor Notes

Note Type Comments Provided By
MP 316° (dec) Matrix Scientific
Therapy GABA uptake inhibitor SMDC MicroSource
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A1-1-E GABA Transporter 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2900 0.86 Binding ≤ 10μM
Z50597-4-O Rattus Norvegicus (cluster #4 Of 5), Other Other 7300 0.80 Binding ≤ 10μM
Z50597-6-O Rattus Norvegicus (cluster #6 Of 12), Other Other 4920 0.83 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A1_RAT P23978 GABA Transporter 1, Rat 1680 0.90 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 7300 0.80 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 4920 0.83 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Na+/Cl- dependent neurotransmitter transporters
Reuptake of GABA

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

No pre-computed analogs available. Try a structural similarity search.