| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 27 | Yes |
Popular Name: DNC006282 DNC006282
[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
None
| 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) | 1.57 | 3.07 | -16.53 | 4 | 7 | 0 | 111 | 371.368 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 9.90e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EPHA5-1-E | Ephrin Type-A Receptor 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6600 | 0.27 | Binding ≤ 10μM |
| GAK-1-E | Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic | Eukaryotes | 590 | 0.32 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3800 | 0.28 | Binding ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5000 | 0.27 | Binding ≤ 10μM |
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6900 | 0.27 | Binding ≤ 10μM |
| MK11-1-E | MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.38 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 700 | 0.32 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 610 | 0.32 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 570 | 0.32 | Functional ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 500 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 180 | 0.35 | Binding ≤ 1μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 50 | 0.38 | Binding ≤ 1μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 610 | 0.32 | Binding ≤ 1μM |
| GAK_HUMAN | O14976 | Serine/threonine-protein Kinase GAK, Human | 590 | 0.32 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 5000 | 0.27 | Binding ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 6900 | 0.27 | Binding ≤ 10μM |
| EPHA5_HUMAN | P54756 | Ephrin Type-A Receptor 5, Human | 6600 | 0.27 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 180 | 0.35 | Binding ≤ 10μM |
| MK11_HUMAN | Q15759 | MAP Kinase P38 Beta, Human | 50 | 0.38 | Binding ≤ 10μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 610 | 0.32 | Binding ≤ 10μM |
| GAK_HUMAN | O14976 | Serine/threonine-protein Kinase GAK, Human | 590 | 0.32 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 3800 | 0.28 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 250 | 0.34 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 400 | 0.33 | 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 | |
| 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 | |
| Downstream signal transduction | |
| Downstream TCR signaling | |
| DSCAM interactions | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| ERK/MAPK targets | |
| FCERI mediated MAPK activation | |
| Generation of second messenger molecules | |
| Golgi Associated Vesicle Biogenesis | |
| GPVI-mediated activation cascade | |
| Interleukin-2 signaling | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| KSRP destabilizes mRNA | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PIP3 activates AKT signaling | |
| Platelet sensitization by LDL | |
| Regulation of KIT signaling | |
| Signaling by PDGF | |
| Signaling by SCF-KIT | |
| Translocation of ZAP-70 to Immunological synapse | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.
