UCSF

ZINC04245650

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 29 Yes

Popular Name: Ginkgolide A Ginkgolide A

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15291-75-5 , 24512-63-8 , [15291-75-5]

Download: MOL2 SDF SMILES Flexibase

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) -1.46 3.05 -20.09 2 9 0 129 408.403 1 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.851 Bitter DB
MP 280°C (dec.) Indofine
ALOGPS_SOLUBILITY 3.05e+00 g/l DrugBank-nutriceuticals
biological_use Antibacterial agent IBScreen Bioactives
Target GABA Receptor Selleck Chemicals
Target Others Selleck Chemicals
mechanism Potent platelet-activating factor receptor antagonist IBScreen Bioactives
Target Prostaglandin G/H synthase 1(P23219)&Prostaglandin G/H synthase 2(P35354)&Arachidonate 5-lipoxygenase(P09917)&Intercellular adhesion molecule 1(P05362)&Transcription factor AP-1(P05412)&ATP-binding cassette sub-family G member 2(Q9UNQ0)&DDB1- and CUL4-ass Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLRA1-1-E Glycine Receptor Subunit Alpha-1 (cluster #1 Of 2), Eukaryotic Eukaryotes 690 0.30 Binding ≤ 10μM
GLRA2-1-E Glycine Receptor Subunit Alpha-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2100 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLRA1_HUMAN P23415 Glycine Receptor Subunit Alpha-1, Human 690 0.30 Binding ≤ 1μM
GLRA1_HUMAN P23415 Glycine Receptor Subunit Alpha-1, Human 1900 0.28 Binding ≤ 10μM
GLRA2_HUMAN P23416 Glycine Receptor Subunit Alpha-2, Human 2100 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ligand-gated ion channel transport

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