UCSF

ZINC00574986

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 22 No

Popular Name: 3-[(4-pyrrolidin-1-ylphenyl)methylene]indolin-2-one 3-[(4-pyrrolidin-1-ylphenyl)meth…

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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) 3.64 -2.41 -9.15 1 3 0 36 290.366 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
VGFR1_MOUSE P35969 Vascular Endothelial Growth Factor Receptor 1, Mouse 3000 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurophilin interactions with VEGF and VEGFR
VEGF binds to VEGFR leading to receptor dimerization

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