UCSF

ZINC44430300

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 37 No

Popular Name: 4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-[(R)-3-pyrrol-1-ylpropylsulfinyl]pyrrolo[3,4-c]carbazole-1,3 4-(2-chlorophenyl)-9-hydroxy-6-m…

Find On: PubMed — Wikipedia — Google

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) 4.14 10.93 -31.28 2 7 0 97 532.021 6 ↓
Hi High (pH 8-9.5) 4.14 11.9 -80.97 1 7 -1 100 531.013 6 ↓

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 33 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 33 0.28 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 33 0.28 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.