UCSF

ZINC03874586

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 16 No

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) 2.29 -1.33 -9.91 2 3 0 49 210.236 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AKT1-2-E RAC-alpha Serine/threonine-protein Kinase (cluster #2 Of 3), Eukaryotic Eukaryotes 3000 0.48 Binding ≤ 10μM
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 350 0.56 Binding ≤ 10μM
JAK3-1-E Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic Eukaryotes 900 0.53 Binding ≤ 10μM
PDPK1-1-E 3-phosphoinositide Dependent Protein Kinase-1 (cluster #1 Of 2), Eukaryotic Eukaryotes 520 0.55 Binding ≤ 10μM
RET-1-E Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic Eukaryotes 460 0.55 Binding ≤ 10μM
SRPK1-1-E Serine/threonine-protein Kinase SRPK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 361 0.56 Binding ≤ 10μM
ST17B-1-E Serine/threonine-protein Kinase 17B (cluster #1 Of 1), Eukaryotic Eukaryotes 353 0.56 Binding ≤ 10μM
VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 390 0.56 Binding ≤ 10μM
VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 140 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDPK1_HUMAN O15530 3-phosphoinositide Dependent Protein Kinase-1, Human 520 0.55 Binding ≤ 1μM
ST17B_HUMAN O94768 Serine/threonine-protein Kinase 17B, Human 353 0.56 Binding ≤ 1μM
SRPK1_HUMAN Q96SB4 Serine/threonine-protein Kinase SRPK1, Human 361 0.56 Binding ≤ 1μM
JAK3_HUMAN P52333 Tyrosine-protein Kinase JAK3, Human 900 0.53 Binding ≤ 1μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 350 0.56 Binding ≤ 1μM
RET_HUMAN P07949 Tyrosine-protein Kinase Receptor RET, Human 460 0.55 Binding ≤ 1μM
VGFR1_MOUSE P35969 Vascular Endothelial Growth Factor Receptor 1, Mouse 390 0.56 Binding ≤ 1μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 140 0.60 Binding ≤ 1μM
PDPK1_HUMAN O15530 3-phosphoinositide Dependent Protein Kinase-1, Human 1800 0.50 Binding ≤ 10μM
ST17B_HUMAN O94768 Serine/threonine-protein Kinase 17B, Human 353 0.56 Binding ≤ 10μM
AKT1_HUMAN P31749 Serine/threonine-protein Kinase AKT, Human 2300 0.49 Binding ≤ 10μM
SRPK1_HUMAN Q96SB4 Serine/threonine-protein Kinase SRPK1, Human 361 0.56 Binding ≤ 10μM
JAK3_HUMAN P52333 Tyrosine-protein Kinase JAK3, Human 900 0.53 Binding ≤ 10μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 350 0.56 Binding ≤ 10μM
RET_HUMAN P07949 Tyrosine-protein Kinase Receptor RET, Human 460 0.55 Binding ≤ 10μM
VGFR1_MOUSE P35969 Vascular Endothelial Growth Factor Receptor 1, Mouse 390 0.56 Binding ≤ 10μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 140 0.60 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of BAD and translocation to mitochondria
Activation of PKB
AKT phosphorylates targets in the cytosol
AKT phosphorylates targets in the nucleus
AKT-mediated inactivation of FOXO1A
Butyrate Response Factor 1 (BRF1) destabilizes mRNA
CD28 dependent PI3K/Akt signaling
Constitutive PI3K/AKT Signaling in Cancer
CTLA4 inhibitory signaling
deactivation of the beta-catenin transactivating complex
Downregulation of ERBB2:ERBB3 signaling
Downstream TCR signaling
eNOS activation
EPHA-mediated growth cone collapse
FCERI mediated NF-kB activation
G beta:gamma signalling through PI3Kgamma
GPVI-mediated activation cascade
Integrin alphaIIb beta3 signaling
Integrin cell surface interactions
Interleukin receptor SHC signaling
Interleukin-2 signaling
Interleukin-7 signaling
KSRP destabilizes mRNA
Negative regulation of the PI3K/AKT network
Neurophilin interactions with VEGF and VEGFR
PIP3 activates AKT signaling
Role of LAT2/NTAL/LAB on calcium mobilization
RSK activation
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Translocation of GLUT4 to the plasma membrane
VEGF binds to VEGFR leading to receptor dimerization
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation
VEGFR2 mediated vascular permeability

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