UCSF

ZINC01486219

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 35 Yes

CAS Number: 212391-63-4

Other Names:

DNC001100

PD 166285

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) 6.14 1.46 -44.95 2 7 1 73 513.449 9

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSK-1-E Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.20 Binding ≤ 10μM
EGFR-1-E Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic Eukaryotes 350 0.26 Binding ≤ 10μM
FGFR1-1-E Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.29 Binding ≤ 10μM
FGFR2-1-E Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.29 Binding ≤ 10μM
FGFR3-1-E Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.29 Binding ≤ 10μM
FGFR4-1-E Fibroblast Growth Factor Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.29 Binding ≤ 10μM
PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 96 0.28 Binding ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.33 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 9000 0.20 Binding ≤ 10μM
WEE1-1-E Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic Eukaryotes 165 0.27 Binding ≤ 10μM
PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.35 Functional ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Functional ≤ 10μM
Z80152-1-O HCT-8 (Ileocecal Adenocarcinoma) (cluster #1 Of 2), Other Other 420 0.26 Functional ≤ 10μM
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 280 0.26 Functional ≤ 10μM
Z80742-1-O C6 (Glioma Cells) (cluster #1 Of 3), Other Other 5 0.33 Functional ≤ 10μM
Z80951-1-O NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other Other 350 0.26 Functional ≤ 10μM
Z81331-1-O SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other Other 270 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 350 0.26 Binding ≤ 1μM
FGFR1_MOUSE P16092 Fibroblast Growth Factor Receptor 1, Mouse 43 0.29 Binding ≤ 1μM
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 43 0.29 Binding ≤ 1μM
FGFR2_MOUSE P21803 Fibroblast Growth Factor Receptor 2, Mouse 43 0.29 Binding ≤ 1μM
FGFR2_HUMAN P21802 Fibroblast Growth Factor Receptor 2, Human 44 0.29 Binding ≤ 1μM
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 44 0.29 Binding ≤ 1μM
FGFR3_MOUSE Q61851 Fibroblast Growth Factor Receptor 3, Mouse 43 0.29 Binding ≤ 1μM
FGFR4_MOUSE Q03142 Fibroblast Growth Factor Receptor 4, Mouse 43 0.29 Binding ≤ 1μM
FGFR4_HUMAN P22455 Fibroblast Growth Factor Receptor 4, Human 44 0.29 Binding ≤ 1μM
PGFRA_MOUSE P26618 Platelet-derived Growth Factor Receptor Alpha, Mouse 79 0.28 Binding ≤ 1μM
PGFRA_RAT P20786 Platelet-derived Growth Factor Receptor Alpha, Rat 5 0.33 Binding ≤ 1μM
PGFRB_RAT Q05030 Platelet-derived Growth Factor Receptor Beta, Rat 5 0.33 Binding ≤ 1μM
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 79 0.28 Binding ≤ 1μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 165 0.27 Binding ≤ 1μM
CSK_MOUSE P41241 Tyrosine-protein Kinase CSK, Mouse 7 0.33 Binding ≤ 1μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 7 0.33 Binding ≤ 1μM
SRC_MOUSE P05480 Tyrosine-protein Kinase SRC, Mouse 9 0.32 Binding ≤ 1μM
SRC_CHICK P00523 Tyrosine-protein Kinase SRC, Chick 9 0.32 Binding ≤ 1μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 350 0.26 Binding ≤ 10μM
FGFR1_MOUSE P16092 Fibroblast Growth Factor Receptor 1, Mouse 43 0.29 Binding ≤ 10μM
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 43 0.29 Binding ≤ 10μM
FGFR2_MOUSE P21803 Fibroblast Growth Factor Receptor 2, Mouse 43 0.29 Binding ≤ 10μM
FGFR2_HUMAN P21802 Fibroblast Growth Factor Receptor 2, Human 44 0.29 Binding ≤ 10μM
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 44 0.29 Binding ≤ 10μM
FGFR3_MOUSE Q61851 Fibroblast Growth Factor Receptor 3, Mouse 43 0.29 Binding ≤ 10μM
FGFR4_HUMAN P22455 Fibroblast Growth Factor Receptor 4, Human 44 0.29 Binding ≤ 10μM
FGFR4_MOUSE Q03142 Fibroblast Growth Factor Receptor 4, Mouse 43 0.29 Binding ≤ 10μM
PGFRA_MOUSE P26618 Platelet-derived Growth Factor Receptor Alpha, Mouse 79 0.28 Binding ≤ 10μM
PGFRA_RAT P20786 Platelet-derived Growth Factor Receptor Alpha, Rat 5 0.33 Binding ≤ 10μM
PGFRB_RAT Q05030 Platelet-derived Growth Factor Receptor Beta, Rat 5 0.33 Binding ≤ 10μM
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 79 0.28 Binding ≤ 10μM
WEE1_HUMAN P30291 Serine/threonine-protein Kinase WEE1, Human 165 0.27 Binding ≤ 10μM
CSK_MOUSE P41241 Tyrosine-protein Kinase CSK, Mouse 7 0.33 Binding ≤ 10μM
SRC_MOUSE P05480 Tyrosine-protein Kinase SRC, Mouse 9 0.32 Binding ≤ 10μM
SRC_CHICK P00523 Tyrosine-protein Kinase SRC, Chick 9 0.32 Binding ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 7 0.33 Binding ≤ 10μM
Z80742 Z80742 C6 (Glioma Cells) 120 0.28 Functional ≤ 10μM
Z80152 Z80152 HCT-8 (Ileocecal Adenocarcinoma) 420 0.26 Functional ≤ 10μM
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 280 0.26 Functional ≤ 10μM
Z80951 Z80951 NIH3T3 (Fibroblasts) 1.1 0.36 Functional ≤ 10μM
PGFRA_MOUSE P26618 Platelet-derived Growth Factor Receptor Alpha, Mouse 1.8 0.35 Functional ≤ 10μM
PGFRA_RAT P20786 Platelet-derived Growth Factor Receptor Alpha, Rat 5 0.33 Functional ≤ 10μM
PGFRB_RAT Q05030 Platelet-derived Growth Factor Receptor Beta, Rat 5 0.33 Functional ≤ 10μM
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 1.8 0.35 Functional ≤ 10μM
Z81331 Z81331 SW-620 (Colon Adenocarcinoma Cells) 270 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activated point mutants of FGFR2
ADP signalling through P2Y purinoceptor 1
betaKlotho-mediated ligand binding
c-src mediated regulation of Cx43 function and closure of gap junctions
CD28 co-stimulation
Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex
Constitutive PI3K/AKT Signaling in Cancer
CTLA4 inhibitory signaling
Cyclin A/B1 associated events during G2/M transition
Cyclin A:Cdk2-associated events at S phase entry
Cyclin E associated events during G1/S transition
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
Factors involved in megakaryocyte development and platelet production
FCGR activation
FGFR1c and Klotho ligand binding and activation
FGFR1c ligand binding and activation
FGFR4 ligand binding and activation
FRS2-mediated cascade
G2/M DNA replication checkpoint
GAB1 signalosome
GP1b-IX-V activation signalling
GRB2 events in EGFR signaling
GRB2 events in ERBB2 signaling
GRB2:SOS provides linkage to MAPK signaling for Integrins
Integrin alphaIIb beta3 signaling
NCAM signaling for neurite out-growth
Negative regulation of FGFR signaling
Netrin mediated repulsion signals
p130Cas linkage to MAPK signaling for integrins
p38MAPK events
PD-1 signaling
Phospholipase C-mediated cascade
Phosphorylation of CD3 and TCR zeta chains
PI-3K cascade
PI3K Cascade
PI3K events in ERBB2 signaling
PIP3 activates AKT signaling
PLCG1 events in ERBB2 signaling
Polo-like kinase mediated events
Recycling pathway of L1
Regulation of KIT signaling
SHC-mediated cascade
SHC1 events in EGFR signaling
SHC1 events in ERBB2 signaling
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 mutants
Signaling by FGFR1 amplification mutants
Signaling by FGFR2 amplification mutants
Signaling by FGFR3 mutants
Signaling by FGFR4 mutants
Signaling by PDGF
Signaling by SCF-KIT
Spry regulation of FGF signaling
t(4;14) translocations of FGFR3
Thrombin signalling through proteinase activated receptors (PARs)
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation

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

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