UCSF

ZINC72105034

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2012 38 No

CAS Number: 872511-34-7

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) 5.54 13.65 -51.03 3 10 1 96 561.494 8
Ref Reference (pH 7) 5.17 11.81 -46.83 3 10 1 100 561.494 9
Mid Mid (pH 6-8) 5.54 11.43 -18.46 2 10 0 95 560.486 8
Mid Mid (pH 6-8) 5.17 9.59 -13.59 2 10 0 99 560.486 9

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_121067; REACT_121289; REACT_121373; REACT_121386 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABL1-1-E Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.21 Binding ≤ 10μM
ALK-1-E ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3078 0.20 Binding ≤ 10μM
BMX-1-E Tyrosine-protein Kinase BMX (cluster #1 Of 1), Eukaryotic Eukaryotes 3405 0.20 Binding ≤ 10μM
EPHB1-1-E Ephrin Type-B Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3039 0.20 Binding ≤ 10μM
FGFR1-1-E Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.31 Binding ≤ 10μM
FGFR2-1-E Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.31 Binding ≤ 10μM
FGFR3-1-E Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.32 Binding ≤ 10μM
FGFR4-1-E Fibroblast Growth Factor Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.27 Binding ≤ 10μM
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 3252 0.20 Binding ≤ 10μM
FYN-1-E Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic Eukaryotes 1900 0.21 Binding ≤ 10μM
INSR-1-E Insulin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3371 0.20 Binding ≤ 10μM
JAK2-1-E Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2882 0.20 Binding ≤ 10μM
KIT-1-E Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 750 0.23 Binding ≤ 10μM
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 5358 0.19 Binding ≤ 10μM
LCK-1-E Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic Eukaryotes 2500 0.21 Binding ≤ 10μM
LYN-1-E Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic Eukaryotes 3019 0.20 Binding ≤ 10μM
MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3011 0.20 Binding ≤ 10μM
NTRK2-1-E Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3139 0.20 Binding ≤ 10μM
PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 2718 0.21 Binding ≤ 10μM
RET-1-E Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic Eukaryotes 3352 0.20 Binding ≤ 10μM
RON-1-E Macrophage-stimulating Protein Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2891 0.20 Binding ≤ 10μM
ROS1-1-E Proto-oncogene Tyrosine-protein Kinase ROS (cluster #1 Of 1), Eukaryotic Eukaryotes 3263 0.20 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 2969 0.20 Binding ≤ 10μM
TIE2-1-E Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2051 0.21 Binding ≤ 10μM
TYK2-1-E Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3303 0.20 Binding ≤ 10μM
VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1510 0.21 Binding ≤ 10μM
VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 938 0.22 Binding ≤ 10μM
VGFR3-1-E Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 2072 0.21 Binding ≤ 10μM
YES-1-E Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.22 Binding ≤ 10μM
Z103410-1-O SW780 (cluster #1 Of 1), Other Other 32 0.28 Functional ≤ 10μM
Z80036-1-O BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 3), Other Other 2 0.32 Functional ≤ 10μM
Z80996-1-O HT1197 (Bladder Carcinoma Cells) (cluster #1 Of 1), Other Other 1157 0.22 Functional ≤ 10μM
Z80036-1-O BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 1), Other Other 1857 0.21 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 0.9 0.33 Binding ≤ 1μM
FGFR2_HUMAN P21802 Fibroblast Growth Factor Receptor 2, Human 1.4 0.33 Binding ≤ 1μM
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 0.7 0.34 Binding ≤ 1μM
FGFR4_HUMAN P22455 Fibroblast Growth Factor Receptor 4, Human 168 0.25 Binding ≤ 1μM
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 750 0.23 Binding ≤ 1μM
LYN_HUMAN P07948 Tyrosine-protein Kinase Lyn, Human 300 0.24 Binding ≤ 1μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 180 0.25 Binding ≤ 1μM
ALK_HUMAN Q9UM73 ALK Tyrosine Kinase Receptor, Human 3078 0.20 Binding ≤ 10μM
EPHB1_HUMAN P54762 Ephrin Type-B Receptor 1, Human 3039 0.20 Binding ≤ 10μM
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 0.9 0.33 Binding ≤ 10μM
FGFR2_HUMAN P21802 Fibroblast Growth Factor Receptor 2, Human 1.4 0.33 Binding ≤ 10μM
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 0.7 0.34 Binding ≤ 10μM
FGFR4_HUMAN P22455 Fibroblast Growth Factor Receptor 4, Human 168 0.25 Binding ≤ 10μM
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 3011 0.20 Binding ≤ 10μM
INSR_HUMAN P06213 Insulin Receptor, Human 3371 0.20 Binding ≤ 10μM
RON_HUMAN Q04912 Macrophage-stimulating Protein Receptor, Human 2891 0.20 Binding ≤ 10μM
NTRK2_HUMAN Q16620 Neurotrophic Tyrosine Kinase Receptor Type 2, Human 3139 0.20 Binding ≤ 10μM
PGFRA_HUMAN P16234 Platelet-derived Growth Factor Receptor Alpha, Human 2718 0.21 Binding ≤ 10μM
ROS1_HUMAN P08922 Proto-oncogene Tyrosine-protein Kinase ROS, Human 3263 0.20 Binding ≤ 10μM
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 2501 0.21 Binding ≤ 10μM
ABL1_HUMAN P00519 Tyrosine-protein Kinase ABL, Human 2300 0.21 Binding ≤ 10μM
BMX_HUMAN P51813 Tyrosine-protein Kinase BMX, Human 3405 0.20 Binding ≤ 10μM
FYN_HUMAN P06241 Tyrosine-protein Kinase FYN, Human 1900 0.21 Binding ≤ 10μM
JAK2_HUMAN O60674 Tyrosine-protein Kinase JAK2, Human 2882 0.20 Binding ≤ 10μM
LCK_HUMAN P06239 Tyrosine-protein Kinase LCK, Human 2500 0.21 Binding ≤ 10μM
LYN_HUMAN P07948 Tyrosine-protein Kinase Lyn, Human 300 0.24 Binding ≤ 10μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 3252 0.20 Binding ≤ 10μM
RET_HUMAN P07949 Tyrosine-protein Kinase Receptor RET, Human 3352 0.20 Binding ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 2969 0.20 Binding ≤ 10μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 5358 0.19 Binding ≤ 10μM
TIE2_HUMAN Q02763 Tyrosine-protein Kinase TIE-2, Human 2051 0.21 Binding ≤ 10μM
TYK2_HUMAN P29597 Tyrosine-protein Kinase TYK2, Human 3303 0.20 Binding ≤ 10μM
YES_HUMAN P07947 Tyrosine-protein Kinase YES, Human 1100 0.22 Binding ≤ 10μM
VGFR1_HUMAN P17948 Vascular Endothelial Growth Factor Receptor 1, Human 1510 0.21 Binding ≤ 10μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 1449 0.22 Binding ≤ 10μM
VGFR3_HUMAN P35916 Vascular Endothelial Growth Factor Receptor 3, Human 2072 0.21 Binding ≤ 10μM
Z80036 Z80036 BaF3 (IL-3-dependent Pro-B-cells) 2 0.32 Functional ≤ 10μM
Z80996 Z80996 HT1197 (Bladder Carcinoma Cells) 1157 0.22 Functional ≤ 10μM
Z103410 Z103410 SW780 32 0.28 Functional ≤ 10μM
Z80036 Z80036 BaF3 (IL-3-dependent Pro-B-cells) 1857 0.21 ADME/T ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Activated point mutants of FGFR2
Signaling by FGFR1 amplification mutants
Signaling by FGFR2 amplification mutants
Signaling by FGFR3 mutants

Reactome Annotations from Targets (via Uniprot)

Description Species
Activated point mutants of FGFR2
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
Apoptotic cleavage of cellular proteins
betaKlotho-mediated ligand binding
CD28 co-stimulation
CD28 dependent PI3K/Akt signaling
CD28 dependent Vav1 pathway
CDO in myogenesis
Cell surface interactions at the vascular wall
Constitutive PI3K/AKT Signaling in Cancer
CRMPs in Sema3A signaling
CTLA4 inhibitory signaling
DAP12 signaling
DCC mediated attractive signaling
Downstream signal transduction
Downstream TCR signaling
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
Ephrin signaling
Factors involved in megakaryocyte development and platelet production
Fc epsilon receptor (FCERI) signaling
FCERI mediated Ca+2 mobilization
FCERI mediated MAPK activation
FCERI mediated NF-kB activation
FCGR activation
FGFR4 ligand binding and activation
FRS2-mediated cascade
Generation of second messenger molecules
GPVI-mediated activation cascade
Growth hormone receptor signaling
Insulin receptor recycling
Integrin alphaIIb beta3 signaling
Integrin cell surface interactions
Interferon alpha/beta signaling
Interferon gamma signaling
Interleukin receptor SHC signaling
Interleukin-2 signaling
Interleukin-3, 5 and GM-CSF signaling
Interleukin-6 signaling
IRS activation
NCAM signaling for neurite out-growth
Nef and signal transduction
Nef Mediated CD4 Down-regulation
Negative regulation of FGFR signaling
Nephrin interactions
Netrin mediated repulsion signals
Neurophilin interactions with VEGF and VEGFR
NGF-independant TRKA activation
PD-1 signaling
PECAM1 interactions
Phospholipase C-mediated cascade
Phosphorylation of CD3 and TCR zeta chains
PI-3K cascade
PI3K Cascade
PIP3 activates AKT signaling
Platelet Adhesion to exposed collagen
Prolactin receptor signaling
Regulation of actin dynamics for phagocytic cup formation
Regulation of IFNA signaling
Regulation of IFNG signaling
Regulation of KIT signaling
Regulation of signaling by CBL
RMTs methylate histone arginines
Role of Abl in Robo-Slit signaling
Role of LAT2/NTAL/LAB on calcium mobilization
Role of phospholipids in phagocytosis
Sema3A PAK dependent Axon repulsion
SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion
Sema4D mediated inhibition of cell attachment and migration
SHC activation
SHC-mediated cascade
Signal attenuation
Signaling by activated point mutants of FGFR1
Signaling by activated point mutants of FGFR3
Signaling by ERBB2
Signaling by FGFR mutants
Signaling by FGFR2 amplification mutants
Signaling by FGFR3 mutants
Signaling by FGFR4 mutants
Signaling by Insulin receptor
Signaling by Leptin
Signaling by PDGF
Signaling by SCF-KIT
t(4;14) translocations of FGFR3
Tie2 Signaling
Translocation of ZAP-70 to Immunological synapse
VEGF binds to VEGFR leading to receptor dimerization
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation

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

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