| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 26 | Yes |
Popular Name: 4-[4-(4-fluorophenyl)-5-(4-pyridyl)oxazol-2-yl]-1-methyl-piperidin-4-ol 4-[4-(4-fluorophenyl)-5-(4-pyrid…
| 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) | 2.76 | -2.2 | -42.1 | 2 | 5 | 1 | 63 | 354.405 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | -2.09 | -88.17 | 3 | 5 | 2 | 64 | 355.413 | 3 | ↓ |
| 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 | 797 | 0.33 | Binding ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8088 | 0.27 | Binding ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2408 | 0.30 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 350 | 0.35 | Binding ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 180 | 0.36 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 180 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 797 | 0.33 | Binding ≤ 1μM |
| MK14_MOUSE | P47811 | MAP Kinase P38 Alpha, Mouse | 350 | 0.35 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 8088 | 0.27 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 797 | 0.33 | Binding ≤ 10μM |
| MK14_MOUSE | P47811 | MAP Kinase P38 Alpha, Mouse | 350 | 0.35 | Binding ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 2408 | 0.30 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 180 | 0.36 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 180 | 0.36 | Functional ≤ 10μM |
| 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 | |
| CDO in myogenesis | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| DSCAM interactions | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| ERK/MAPK targets | |
| FCERI mediated MAPK activation | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| Platelet sensitization by LDL | |
| 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 | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.