UCSF

ZINC66066068

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 18 Yes

Popular Name: 3-[1-(1H-indazol-5-yl)triazol-4-yl]propan-1-ol 3-[1-(1H-indazol-5-yl)triazol-4-…

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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) 1.06 1.87 -15.13 2 6 0 80 243.27 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-1-E Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic Eukaryotes 5216 0.41 Binding ≤ 10μM
JAK2-1-E Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1453 0.45 Binding ≤ 10μM
ROCK2-2-E Rho-associated Protein Kinase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 230 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ROCK2_HUMAN O75116 Rho-associated Protein Kinase 2, Human 230 0.52 Binding ≤ 1μM
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 5216 0.41 Binding ≤ 10μM
ROCK2_HUMAN O75116 Rho-associated Protein Kinase 2, Human 230 0.52 Binding ≤ 10μM
JAK2_HUMAN O60674 Tyrosine-protein Kinase JAK2, Human 1453 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
AKT phosphorylates targets in the cytosol
APC truncation mutants have impaired AXIN binding
AXIN missense mutants destabilize the destruction complex
Beta-catenin phosphorylation cascade
Constitutive PI3K/AKT Signaling in Cancer
CRMPs in Sema3A signaling
Degradation of beta-catenin by the destruction complex
disassembly of the destruction complex and recruitment of AXIN to the membrane
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
Factors involved in megakaryocyte development and platelet production
G alpha (12/13) signalling events
Growth hormone receptor signaling
Interferon gamma signaling
Interleukin receptor SHC signaling
Interleukin-3, 5 and GM-CSF signaling
Interleukin-6 signaling
misspliced GSK3beta mutants stabilize beta-catenin
Prolactin receptor signaling
Regulation of HSF1-mediated heat shock response
Regulation of IFNG signaling
RMTs methylate histone arginines
S33 mutants of beta-catenin aren't phosphorylated
S37 mutants of beta-catenin aren't phosphorylated
S45 mutants of beta-catenin aren't phosphorylated
Sema4D induced cell migration and growth-cone collapse
Signaling by Leptin
Signaling by SCF-KIT
T41 mutants of beta-catenin aren't phosphorylated
truncations of AMER1 destabilize the destruction complex
VEGFA-VEGFR2 Pathway

Rings

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

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