UCSF

ZINC36161196

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 No

Popular Name: 9-hydroxy-4-phenyl-benzofuro[3,2-e]isoindole-1,3-dione 9-hydroxy-4-phenyl-benzofuro[3,2…

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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 4.71 -10.12 2 5 0 83 329.311 1 ↓
Hi High (pH 8-9.5) 4.09 2.2 -52.07 1 5 -1 86 328.303 1 ↓
Hi High (pH 8-9.5) 3.64 5.46 -50.35 1 5 -1 86 328.303 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 430 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 426.579519 0.36 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 426.579519 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex
Cyclin A/B1 associated events during G2/M transition
Cyclin A:Cdk2-associated events at S phase entry
Cyclin E associated events during G1/S transition
Factors involved in megakaryocyte development and platelet production
G2/M DNA replication checkpoint
Polo-like kinase mediated events

Rings

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

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