UCSF

ZINC01546258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 29 Yes

CAS Number: 192705-79-6

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) 3.24 -3.86 -21.63 4 9 0 124 396.451 5

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 60 0.35 Binding ≤ 10μM
FGFR2-1-E Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.35 Binding ≤ 10μM
FGFR3-1-E Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.35 Binding ≤ 10μM
FGFR4-1-E Fibroblast Growth Factor Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.35 Binding ≤ 10μM
Z81057-1-O HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other Other 580 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FGFR1_MOUSE P16092 Fibroblast Growth Factor Receptor 1, Mouse 60 0.35 Binding ≤ 1μM
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 48 0.35 Binding ≤ 1μM
FGFR2_HUMAN P21802 Fibroblast Growth Factor Receptor 2, Human 60 0.35 Binding ≤ 1μM
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 60 0.35 Binding ≤ 1μM
FGFR4_HUMAN P22455 Fibroblast Growth Factor Receptor 4, Human 60 0.35 Binding ≤ 1μM
FGFR1_MOUSE P16092 Fibroblast Growth Factor Receptor 1, Mouse 60 0.35 Binding ≤ 10μM
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 48 0.35 Binding ≤ 10μM
FGFR2_HUMAN P21802 Fibroblast Growth Factor Receptor 2, Human 60 0.35 Binding ≤ 10μM
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 60 0.35 Binding ≤ 10μM
FGFR4_HUMAN P22455 Fibroblast Growth Factor Receptor 4, Human 60 0.35 Binding ≤ 10μM
Z81057 Z81057 HUVEC (Umbilical Vein Endothelial Cells) 100 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activated point mutants of FGFR2
betaKlotho-mediated ligand binding
Constitutive PI3K/AKT Signaling in Cancer
FGFR1c and Klotho ligand binding and activation
FGFR1c ligand binding and activation
FGFR4 ligand binding and activation
FRS2-mediated cascade
NCAM signaling for neurite out-growth
Negative regulation of FGFR signaling
Phospholipase C-mediated cascade
PI-3K cascade
PI3K Cascade
PIP3 activates AKT signaling
SHC-mediated cascade
Signal transduction by L1
Signaling by activated point mutants of FGFR1
Signaling by activated point mutants of FGFR3
Signaling by FGFR mutants
Signaling by FGFR1 amplification 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.