UCSF

ZINC01494900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 39 No

Popular Name: Enzastaurin Enzastaurin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 170364-57-5 , 359017-79-1 , [170364-57-5]

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) 4.25 -0.18 -52.32 2 7 1 77 516.625 5 ↓

Vendor Notes

Note Type Comments Provided By
Indications antineoplastic KeyOrganics Bioactives
Target PKC Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCC2A-1-E CaM Kinase II Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.18 Binding ≤ 10μM
KCC2B-1-E CaM Kinase II Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.18 Binding ≤ 10μM
KCC2D-1-E CaM Kinase II Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.18 Binding ≤ 10μM
KCC2G-1-E CaM Kinase II Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.18 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 800 0.22 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 700 0.22 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 1000 0.22 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 300 0.23 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 700 0.22 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 700 0.22 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 700 0.22 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 8000 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 700 0.22 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 800 0.22 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 30 0.27 Binding ≤ 1μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 700 0.22 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 1000 0.22 Binding ≤ 1μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 700 0.22 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 300 0.23 Binding ≤ 1μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 700 0.22 Binding ≤ 1μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 700 0.22 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 400 0.23 Binding ≤ 1μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 700 0.22 Binding ≤ 1μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 700 0.22 Binding ≤ 1μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 700 0.22 Binding ≤ 1μM
KCC2A_HUMAN Q9UQM7 CaM Kinase II Alpha, Human 10000 0.18 Binding ≤ 10μM
KCC2B_HUMAN Q13554 CaM Kinase II Beta, Human 10000 0.18 Binding ≤ 10μM
KCC2D_HUMAN Q13557 CaM Kinase II Delta, Human 10000 0.18 Binding ≤ 10μM
KCC2G_HUMAN Q13555 CaM Kinase II Gamma, Human 10000 0.18 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 800 0.22 Binding ≤ 10μM
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 700 0.22 Binding ≤ 10μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 700 0.22 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 30 0.27 Binding ≤ 10μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 700 0.22 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 1000 0.22 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 300 0.23 Binding ≤ 10μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 700 0.22 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 400 0.23 Binding ≤ 10μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 700 0.22 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 700 0.22 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 2000 0.20 Binding ≤ 10μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 700 0.22 Binding ≤ 10μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 700 0.22 Binding ≤ 10μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 8000 0.18 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Activation of NF-kappaB in B cells
Apoptotic cleavage of cellular proteins
Ca2+ pathway
Calmodulin induced events
CREB phosphorylation through the activation of CaMKII
CREB phosphorylation through the activation of Ras
DAG and IP3 signaling
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
G alpha (z) signalling events
GPVI-mediated activation cascade
HSF1-dependent transactivation
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma signaling
Ras activation uopn Ca2+ infux through NMDA receptor
Regulation of KIT signaling
Response to elevated platelet cytosolic Ca2+
Role of phospholipids in phagocytosis
Signaling by SCF-KIT
Syndecan interactions
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)
Trafficking of AMPA receptors
Trafficking of GluR2-containing AMPA receptors
Unblocking of NMDA receptor, glutamate binding and activation
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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

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