UCSF

ZINC03952380

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 36 Yes

CAS Number: 192705-80-9

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) 6.21 -2.72 -50.46 4 8 1 96 533.528 11

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGFR-1-E Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic Eukaryotes 390 0.25 Binding ≤ 10μM
FGFR1-1-E Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 48 0.28 Binding ≤ 10μM
FGFR2-1-E Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 48 0.28 Binding ≤ 10μM
FGFR3-1-E Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 48 0.28 Binding ≤ 10μM
FGFR4-1-E Fibroblast Growth Factor Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 48 0.28 Binding ≤ 10μM
MK01-1-E Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2800 0.22 Binding ≤ 10μM
MP2K1-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 2800 0.22 Binding ≤ 10μM
PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 360 0.25 Binding ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 450 0.25 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 44 0.29 Binding ≤ 10μM
PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 450 0.25 Functional ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 450 0.25 Functional ≤ 10μM
Z80166-4-O HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other Other 900 0.24 Functional ≤ 10μM
Z80742-1-O C6 (Glioma Cells) (cluster #1 Of 3), Other Other 5800 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 240 0.26 Binding ≤ 1μM
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 48 0.28 Binding ≤ 1μM
FGFR2_HUMAN P21802 Fibroblast Growth Factor Receptor 2, Human 48 0.28 Binding ≤ 1μM
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 48 0.28 Binding ≤ 1μM
FGFR4_HUMAN P22455 Fibroblast Growth Factor Receptor 4, Human 48 0.28 Binding ≤ 1μM
PGFRA_MOUSE P26618 Platelet-derived Growth Factor Receptor Alpha, Mouse 360 0.25 Binding ≤ 1μM
PGFRA_RAT P20786 Platelet-derived Growth Factor Receptor Alpha, Rat 310 0.25 Binding ≤ 1μM
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 360 0.25 Binding ≤ 1μM
PGFRB_RAT Q05030 Platelet-derived Growth Factor Receptor Beta, Rat 310 0.25 Binding ≤ 1μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 44 0.29 Binding ≤ 1μM
SRC_CHICK P00523 Tyrosine-protein Kinase SRC, Chick 23 0.30 Binding ≤ 1μM
MP2K1_HUMAN Q02750 Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human 2800 0.22 Binding ≤ 10μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 240 0.26 Binding ≤ 10μM
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 48 0.28 Binding ≤ 10μM
FGFR2_HUMAN P21802 Fibroblast Growth Factor Receptor 2, Human 48 0.28 Binding ≤ 10μM
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 48 0.28 Binding ≤ 10μM
FGFR4_HUMAN P22455 Fibroblast Growth Factor Receptor 4, Human 48 0.28 Binding ≤ 10μM
MK01_HUMAN P28482 MAP Kinase ERK2, Human 2800 0.22 Binding ≤ 10μM
PGFRA_MOUSE P26618 Platelet-derived Growth Factor Receptor Alpha, Mouse 360 0.25 Binding ≤ 10μM
PGFRA_RAT P20786 Platelet-derived Growth Factor Receptor Alpha, Rat 310 0.25 Binding ≤ 10μM
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 360 0.25 Binding ≤ 10μM
PGFRB_RAT Q05030 Platelet-derived Growth Factor Receptor Beta, Rat 310 0.25 Binding ≤ 10μM
SRC_CHICK P00523 Tyrosine-protein Kinase SRC, Chick 23 0.30 Binding ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 44 0.29 Binding ≤ 10μM
Z80742 Z80742 C6 (Glioma Cells) 5800 0.20 Functional ≤ 10μM
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 900 0.24 Functional ≤ 10μM
PGFRA_RAT P20786 Platelet-derived Growth Factor Receptor Alpha, Rat 450 0.25 Functional ≤ 10μM
PGFRB_RAT Q05030 Platelet-derived Growth Factor Receptor Beta, Rat 450 0.25 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activated point mutants of FGFR2
Activation of the AP-1 family of transcription factors
ADP signalling through P2Y purinoceptor 1
Advanced glycosylation endproduct receptor signaling
betaKlotho-mediated ligand binding
c-src mediated regulation of Cx43 function and closure of gap junctions
CD28 co-stimulation
Constitutive PI3K/AKT Signaling in Cancer
CREB phosphorylation through the activation of Ras
CTLA4 inhibitory signaling
DCC mediated attractive signaling
Downstream signal transduction
DSCAM interactions
EGFR downregulation
EGFR interacts with phospholipase C-gamma
EGFR Transactivation by Gastrin
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
Ephrin signaling
ERK/MAPK targets
ERK1 activation
ERK2 activation
ERKs are inactivated
FCERI mediated MAPK activation
FGFR4 ligand binding and activation
FRS2-mediated cascade
GAB1 signalosome
Gastrin-CREB signalling pathway via PKC and MAPK
Golgi Cisternae Pericentriolar Stack Reorganization
GP1b-IX-V activation signalling
GRB2 events in EGFR signaling
GRB2 events in ERBB2 signaling
GRB2:SOS provides linkage to MAPK signaling for Integrins
Growth hormone receptor signaling
Integrin alphaIIb beta3 signaling
Interleukin-1 signaling
MEK activation
NCAM signaling for neurite out-growth
Negative regulation of FGFR signaling
Netrin mediated repulsion signals
Oncogene Induced Senescence
Oxidative Stress Induced Senescence
p130Cas linkage to MAPK signaling for integrins
p38MAPK events
phospho-PLA2 pathway
Phospholipase C-mediated cascade
PI-3K cascade
PI3K Cascade
PI3K events in ERBB2 signaling
PIP3 activates AKT signaling
PLCG1 events in ERBB2 signaling
RAF phosphorylates MEK
Recycling pathway of L1
Regulation of actin dynamics for phagocytic cup formation
Regulation of HSF1-mediated heat shock response
Regulation of KIT signaling
RSK activation
Senescence-Associated Secretory Phenotype (SASP)
SHC-mediated cascade
SHC1 events in EGFR signaling
SHC1 events in ERBB2 signaling
Signal attenuation
Signal regulatory protein (SIRP) family interactions
Signal transduction by L1
Signaling by activated point mutants of FGFR1
Signaling by activated point mutants of FGFR3
Signaling by constitutively active EGFR
Signaling by EGFR
Signaling by ERBB2
Signaling by ERBB4
Signaling by FGFR
Signaling by FGFR mutants
Signaling by FGFR2 amplification mutants
Signaling by FGFR3 mutants
Signaling by FGFR4 mutants
Signaling by PDGF
Signaling by SCF-KIT
t(4;14) translocations of FGFR3
Thrombin signalling through proteinase activated receptors (PARs)
Uptake and function of anthrax toxins
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation

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

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