| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 35 | Yes |
Popular Name: CP-724714 CP-724714
Find On: PubMed — Wikipedia — Google
CAS Numbers: 383432-38-0 , 537705-08-1 , [383432-38-0] , [537705-08-1]
(E)-Ethyl (3-(4-((3-methyl-4-((6-methylpyridin-3-yl)oxy)pheny)amino)quinazolin-6-yl)allyl)carbamate
| 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) | 4.56 | -1.01 | -20.16 | 2 | 8 | 0 | 98 | 469.545 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | EGFR, HER2 | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK19-1-E | Cell Division Cycle 2-like Protein Kinase 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1100 | 0.24 | Binding ≤ 10μM |
| CDK8-1-E | Cell Division Protein Kinase 8 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2300 | 0.23 | Binding ≤ 10μM |
| EGFR-3-E | Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 720 | 0.25 | Binding ≤ 10μM |
| ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 43 | 0.29 | Binding ≤ 10μM |
| MKNK2-1-E | MAP Kinase Signal-integrating Kinase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 840 | 0.24 | Binding ≤ 10μM |
| TBA1A-2-E | Tubulin Alpha-3 Chain (cluster #2 Of 3), Eukaryotic | Eukaryotes | 260 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 10 | 0.32 | Binding ≤ 1μM |
| MKNK2_HUMAN | Q9HBH9 | MAP Kinase Signal-integrating Kinase 2, Human | 840 | 0.24 | Binding ≤ 1μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 12 | 0.32 | Binding ≤ 1μM |
| TBA1A_RAT | P68370 | Tubulin Alpha-1 Chain, Rat | 260 | 0.26 | Binding ≤ 1μM |
| CDK19_HUMAN | Q9BWU1 | Cell Division Cycle 2-like Protein Kinase 6, Human | 1100 | 0.24 | Binding ≤ 10μM |
| CDK8_HUMAN | P49336 | Cell Division Protein Kinase 8, Human | 2300 | 0.23 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 10 | 0.32 | Binding ≤ 10μM |
| MKNK2_HUMAN | Q9HBH9 | MAP Kinase Signal-integrating Kinase 2, Human | 840 | 0.24 | Binding ≤ 10μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 12 | 0.32 | Binding ≤ 10μM |
| TBA1A_RAT | P68370 | Tubulin Alpha-1 Chain, Rat | 260 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| Downregulation of ERBB2:ERBB3 signaling | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| Formation of tubulin folding intermediates by CCT/TriC | |
| GAB1 signalosome | |
| Gap junction assembly | |
| Generic Transcription Pathway | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB7 events in ERBB2 signaling | |
| Kinesins | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MHC class II antigen presentation | |
| Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane | |
| Mitotic Prometaphase | |
| NOTCH1 Intracellular Domain Regulates Transcription | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| Post-chaperonin tubulin folding pathway | |
| PPARA activates gene expression | |
| Prefoldin mediated transfer of substrate to CCT/TriC | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Recycling pathway of L1 | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Sema4D induced cell migration and growth-cone collapse | |
| Separation of Sister Chromatids | |
| 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 | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription | |
| Transcriptional regulation of white adipocyte differentiation | |
| Translocation of GLUT4 to the plasma membrane |
