| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: Quinazoline Quinazoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 253-82-7 , [253-82-7]
| 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) | 1.54 | 4.68 | -7.46 | 0 | 2 | 0 | 26 | 130.15 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.077 | Bitter DB |
| BP [°C] | 243 | Acros Organics |
| Boiling_Point | 243? | Alfa-Aesar |
| Boiling_Point | 243° | Alfa-Aesar |
| Mp [°C] | 45 - 48 | Acros Organics |
| Melting_Point | 45-48? | Alfa-Aesar |
| Melting_Point | 45-48° | Alfa-Aesar |
| MP | 46-48° | Oakwood Chemical |
| MP | 48 | TCI |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Patent Database Links | EP0787722; EP0791849; EP0805188; EP0837063; EP0860433; EP0919233; EP0985662; EP0992240; EP1010695; EP1014185; EP1055668; EP1072601; EP1076057; EP1082323; EP1142586; EP1148059; EP1160243; EP1174151; EP1177797; EP1192949; EP1192950; EP1193254; EP1229025; EP | ChEBI |
| UniProt Database Links | IORA_BREDI; IORB_BREDI | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR-3-E | Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 27 | 1.06 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 27 | 1.06 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 27 | 1.06 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| 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 |
No pre-computed analogs available. Try a structural similarity search.