| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2009 | 21 | Yes |
Popular Name: 3-(4-fluorophenyl)-5-isopropyl-4-(4-pyridyl)isoxazole 3-(4-fluorophenyl)-5-isopropyl-4…
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) | 3.97 | 9.1 | -6.12 | 0 | 3 | 0 | 39 | 282.318 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.97 | 9.58 | -43.54 | 1 | 3 | 1 | 40 | 283.326 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KC1D-1-E | Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 230 | 0.44 | Binding ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1280 | 0.39 | Binding ≤ 10μM |
| MK10-2-E | C-Jun N-terminal Kinase 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 540 | 0.42 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 450 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 540 | 0.42 | Binding ≤ 1μM |
| KC1D_RAT | Q06486 | Casein Kinase I Delta, Rat | 230 | 0.44 | Binding ≤ 1μM |
| KC1D_HUMAN | P48730 | Casein Kinase I Delta, Human | 230 | 0.44 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 450 | 0.42 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 1280 | 0.39 | Binding ≤ 10μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 540 | 0.42 | Binding ≤ 10μM |
| KC1D_RAT | Q06486 | Casein Kinase I Delta, Rat | 230 | 0.44 | Binding ≤ 10μM |
| KC1D_HUMAN | P48730 | Casein Kinase I Delta, Human | 230 | 0.44 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 450 | 0.42 | Binding ≤ 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 | |
| Circadian Clock | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| FCERI mediated MAPK activation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| KSRP destabilizes mRNA | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of PLK1 Activity at G2/M Transition | |
| VEGFA-VEGFR2 Pathway |
