UCSF

ZINC03872044

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 26 No

Popular Name: CHELERYTHRINE CHLORIDE CHELERYTHRINE CHLORIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 34316-15-9 , 3895-92-9 , [112025-60-2] , [34316-15-9] , [3895-92-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.75 9.03 -30.15 0 5 1 41 348.378 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 195-205 °C Indofine
Purity >98% Fluorochem
Target Activator of 90 kDa heat shock protein ATPase homolog 1(O95433)&Inhibitor of nuclear factor kappa-B kinase subunit beta(O14920)&Aldo-keto reductase family 1 member C3(P42330)&Heme oxygenase 1(P09601)&Cell division control protein 2 homolog(P06493)&Prostag Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCE-4-E Protein Kinase C Epsilon (cluster #4 Of 5), Eukaryotic Eukaryotes 24 0.41 Binding ≤ 10μM
Z81034-6-O A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other Other 4630 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 24 0.41 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 24 0.41 Binding ≤ 10μM
Z81034 Z81034 A2780 (Ovarian Carcinoma Cells) 4630 0.29 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
DAG and IP3 signaling
Effects of PIP2 hydrolysis
G alpha (z) signalling events
Role of phospholipids in phagocytosis

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