UCSF

ZINC00600292

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 22 Yes

Popular Name: N-(3-Bromophenyl)-6,7-dimethoxyquinazolin-4-amine N-(3-Bromophenyl)-6,7-dimethoxyq…

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CAS Numbers: 153436-54-5 , 183322-45-4 , [153436-54-5] , [183322-45-4]

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) 4.06 8.59 -10.58 1 5 0 56 360.211 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Target EGFR Selleck Chemicals

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 30 0.48 Binding ≤ 10μM
EGFR-3-E Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic Eukaryotes 70 0.46 Binding ≤ 10μM
EPHB2-1-E Ephrin Type-B Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 8100 0.32 Binding ≤ 10μM
ERBB2-2-E Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic Eukaryotes 70 0.46 Binding ≤ 10μM
F16P1-1-E Fructose-1,6-bisphosphatase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.38 Binding ≤ 10μM
LCK-1-E Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic Eukaryotes 8100 0.32 Binding ≤ 10μM
MK11-1-E MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.33 Binding ≤ 10μM
MK12-2-E MAP Kinase P38 Gamma (cluster #2 Of 2), Eukaryotic Eukaryotes 6300 0.33 Binding ≤ 10μM
MK13-1-E MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.33 Binding ≤ 10μM
MK14-3-E MAP Kinase P38 Alpha (cluster #3 Of 3), Eukaryotic Eukaryotes 6300 0.33 Binding ≤ 10μM
MKNK1-1-E MAP Kinase-interacting Serine/threonine-protein Kinase MNK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 630 0.39 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 1400 0.37 Binding ≤ 10μM
VGFR2-2-E Vascular Endothelial Growth Factor Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1489 0.37 Binding ≤ 10μM
EGFR-1-E Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.53 Functional ≤ 10μM
ERBB2-2-E Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic Eukaryotes 143 0.44 Functional ≤ 10μM
ERBB4-1-E Receptor Protein-tyrosine Kinase ErbB-4 (cluster #1 Of 1), Eukaryotic Eukaryotes 49 0.47 Functional ≤ 10μM
Z100492-1-O MCF10 (Normal Breast Epithelial Cells) (cluster #1 Of 1), Other Other 211 0.42 Functional ≤ 10μM
Z100731-1-O Bcap37 (Breast Carcinoma Cells) (cluster #1 Of 1), Other Other 8900 0.32 Functional ≤ 10μM
Z103205-3-O A431 (cluster #3 Of 4), Other Other 4400 0.34 Functional ≤ 10μM
Z80037-1-O Balb/MK (cluster #1 Of 1), Other Other 200 0.43 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 4700 0.34 Functional ≤ 10μM
Z80390-1-O PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other Other 8900 0.32 Functional ≤ 10μM
Z80475-3-O SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other Other 820 0.39 Functional ≤ 10μM
Z80852-3-O A-431 (Epidermoid Carcinoma Cells) (cluster #3 Of 3), Other Other 8310 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 0.66 0.58 Binding ≤ 1μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 1000 0.38 Binding ≤ 1μM
MKNK1_HUMAN Q9BUB5 MAP Kinase-interacting Serine/threonine-protein Kinase MNK1, Human 630 0.39 Binding ≤ 1μM
ERBB2_HUMAN P04626 Receptor Protein-tyrosine Kinase ErbB-2, Human 70 0.46 Binding ≤ 1μM
ABL1_HUMAN P00519 Tyrosine-protein Kinase ABL, Human 30 0.48 Binding ≤ 1μM
EPHB2_HUMAN P29323 Ephrin Type-B Receptor 2, Human 8100 0.32 Binding ≤ 10μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 0.66 0.58 Binding ≤ 10μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 1000 0.38 Binding ≤ 10μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 6300 0.33 Binding ≤ 10μM
MK11_HUMAN Q15759 MAP Kinase P38 Beta, Human 6300 0.33 Binding ≤ 10μM
MK13_HUMAN O15264 MAP Kinase P38 Delta, Human 6300 0.33 Binding ≤ 10μM
MK12_HUMAN P53778 MAP Kinase P38 Gamma, Human 6300 0.33 Binding ≤ 10μM
MKNK1_HUMAN Q9BUB5 MAP Kinase-interacting Serine/threonine-protein Kinase MNK1, Human 630 0.39 Binding ≤ 10μM
ERBB2_HUMAN P04626 Receptor Protein-tyrosine Kinase ErbB-2, Human 70 0.46 Binding ≤ 10μM
ABL1_HUMAN P00519 Tyrosine-protein Kinase ABL, Human 30 0.48 Binding ≤ 10μM
LCK_HUMAN P06239 Tyrosine-protein Kinase LCK, Human 8100 0.32 Binding ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 1400 0.37 Binding ≤ 10μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 1489 0.37 Binding ≤ 10μM
Z80852 Z80852 A-431 (Epidermoid Carcinoma Cells) 1520 0.37 Functional ≤ 10μM
Z103205 Z103205 A431 4400 0.34 Functional ≤ 10μM
Z80037 Z80037 Balb/MK 200 0.43 Functional ≤ 10μM
Z100731 Z100731 Bcap37 (Breast Carcinoma Cells) 8900 0.32 Functional ≤ 10μM
EGFR_HUMAN P00533 Epidermal Growth Factor Receptor ErbB1, Human 2.6 0.55 Functional ≤ 10μM
Z100492 Z100492 MCF10 (Normal Breast Epithelial Cells) 211 0.42 Functional ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 1613 0.37 Functional ≤ 10μM
Z80390 Z80390 PC-3 (Prostate Carcinoma Cells) 8900 0.32 Functional ≤ 10μM
ERBB2_HUMAN P04626 Receptor Protein-tyrosine Kinase ErbB-2, Human 143 0.44 Functional ≤ 10μM
ERBB4_HUMAN Q15303 Receptor Protein-tyrosine Kinase ErbB-4, Human 49 0.47 Functional ≤ 10μM
Z80475 Z80475 SK-BR-3 (Breast Adenocarcinoma) 820 0.39 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
activated TAK1 mediates p38 MAPK activation
Activation of PPARGC1A (PGC-1alpha) by phosphorylation
Activation of the AP-1 family of transcription factors
ADP signalling through P2Y purinoceptor 1
CD28 co-stimulation
CD28 dependent PI3K/Akt signaling
CD28 dependent Vav1 pathway
CDO in myogenesis
Constitutive PI3K/AKT Signaling in Cancer
CTLA4 inhibitory signaling
DAP12 signaling
Downregulation of ERBB2:ERBB3 signaling
Downstream TCR signaling
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
Factors involved in megakaryocyte development and platelet production
GAB1 signalosome
Generation of second messenger molecules
Gluconeogenesis
GPVI-mediated activation cascade
GRB2 events in EGFR signaling
GRB2 events in ERBB2 signaling
GRB7 events in ERBB2 signaling
Integrin cell surface interactions
Interleukin-2 signaling
KSRP destabilizes mRNA
L1CAM interactions
Nef and signal transduction
Nef Mediated CD4 Down-regulation
Neurophilin interactions with VEGF and VEGFR
NOD1/2 Signaling Pathway
Oxidative Stress Induced Senescence
p38MAPK events
PD-1 signaling
PECAM1 interactions
Phosphorylation of CD3 and TCR zeta chains
PI3K events in ERBB2 signaling
PIP3 activates AKT signaling
Platelet sensitization by LDL
PLCG1 events in ERBB2 signaling
Regulation of actin dynamics for phagocytic cup formation
Regulation of KIT signaling
Role of Abl in Robo-Slit signaling
Sema4D induced cell migration and growth-cone collapse
SHC1 events in EGFR signaling
SHC1 events in ERBB2 signaling
Signal transduction by L1
Signaling by constitutively active EGFR
Signaling by EGFR
Signaling by ERBB2
Signaling by ERBB4
Signaling by SCF-KIT
Spry regulation of FGF 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.