UCSF

ZINC00017343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 2.58 5.91 -9.78 2 3 0 60 249.269 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FGFR1-1-E Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4700 0.39 Binding ≤ 10μM
FGFR2-1-E Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4700 0.39 Binding ≤ 10μM
FGFR3-1-E Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 4700 0.39 Binding ≤ 10μM
FGFR4-1-E Fibroblast Growth Factor Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 4700 0.39 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 3600 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 4700 0.39 Binding ≤ 10μM
FGFR2_HUMAN P21802 Fibroblast Growth Factor Receptor 2, Human 4700 0.39 Binding ≤ 10μM
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 4700 0.39 Binding ≤ 10μM
FGFR4_HUMAN P22455 Fibroblast Growth Factor Receptor 4, Human 4700 0.39 Binding ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 3600 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activated point mutants of FGFR2
betaKlotho-mediated ligand binding
Constitutive PI3K/AKT Signaling in Cancer
FGFR4 ligand binding and activation
FRS2-mediated cascade
Negative regulation of FGFR signaling
Phospholipase C-mediated cascade
PI-3K cascade
PI3K Cascade
PIP3 activates AKT signaling
SHC-mediated cascade
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
t(4;14) translocations of FGFR3

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

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