UCSF

ZINC13861101

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 30 No

Popular Name: 3-(1-methylindol-3-yl)-4-(6,7,8,9-tetrahydrobenzo[b]indolizin-10-yl)pyrrole-2,5-dione 3-(1-methylindol-3-yl)-4-(6,7,8,…

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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) 4.42 11.64 -12.49 1 5 0 60 395.462 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 155 0.32 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 155 0.32 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 155 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 155 0.32 Binding ≤ 1μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 155 0.32 Binding ≤ 1μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 155 0.32 Binding ≤ 1μM
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 155 0.32 Binding ≤ 10μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 155 0.32 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 155 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NF-kappaB in B cells
Calmodulin induced events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
G alpha (z) signalling events
Response to elevated platelet cytosolic Ca2+
Trafficking of GluR2-containing AMPA receptors
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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