UCSF

ZINC12339625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2008 20 No

CAS Number: 5812-07-7

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) 3.23 7.56 -9.9 1 3 0 36 264.328 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 3750 0.38 Binding ≤ 10μM
VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.43 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
VGFR1_MOUSE P35969 Vascular Endothelial Growth Factor Receptor 1, Mouse 800 0.43 Binding ≤ 1μM
PGFRB_HUMAN P09619 Platelet-derived Growth Factor Receptor Beta, Human 3700 0.38 Binding ≤ 10μM
VGFR1_MOUSE P35969 Vascular Endothelial Growth Factor Receptor 1, Mouse 800 0.43 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Constitutive PI3K/AKT Signaling in Cancer
Downstream signal transduction
Neurophilin interactions with VEGF and VEGFR
PIP3 activates AKT signaling
Signaling by PDGF
VEGF binds to VEGFR leading to receptor dimerization

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