UCSF

ZINC00057677

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) 3.23 5.43 -11.14 1 3 0 50 238.242 1

Vendor Notes

Note Type Comments Provided By
M.P. 230-232 C Indofine
MP 231-232o C Indofine
Melting_Point 234-236? Alfa-Aesar
Melting_Point 234-236° Alfa-Aesar
SOLUBILITY Clear solution in Methanol Indofine
APPEARANCE Pale Yellow crystals Indofine
SOLUBILITY Solube in Methanol Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CALM-1-E Calmodulin (cluster #1 Of 2), Eukaryotic Eukaryotes 5170 0.41 Binding ≤ 10μM
Z104301-4-O GABA-A Receptor; Anion Channel (cluster #4 Of 8), Other Other 400 0.50 Binding ≤ 10μM
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 5300 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 400 0.50 Binding ≤ 1μM
CALM_HUMAN P62158 Calmodulin, Human 5170 0.41 Binding ≤ 10μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 400 0.50 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 5300 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Ca-permeable Kainate Receptor
Activation of CaMK IV
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
Ca2+ pathway
Calmodulin induced events
CaM pathway
Cam-PDE 1 activation
CaMK IV-mediated phosphorylation of CREB
CREB phosphorylation through the activation of CaMKII
CREB phosphorylation through the activation of CaMKK
DARPP-32 events
eNOS activation
FCERI mediated Ca+2 mobilization
Glycogen breakdown (glycogenolysis)
Inactivation, recovery and regulation of the phototransduction cascade
Platelet degranulation
Ras activation uopn Ca2+ infux through NMDA receptor
Smooth Muscle Contraction
Synthesis of IP3 and IP4 in the cytosol
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Transcriptional activation of mitochondrial biogenesis
Translocation of GLUT4 to the plasma membrane
VEGFR2 mediated cell proliferation
VEGFR2 mediated vascular permeability

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