UCSF

ZINC33034247

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 17 No

Popular Name: (3Z)-5-chloro-3-(1H-pyrrol-2-ylmethylene)indolin-2-one (3Z)-5-chloro-3-(1H-pyrrol-2-ylm…

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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) 2.94 5.7 -7.87 2 3 0 49 244.681 1 ↓

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 0.45 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 0.45 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% )

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