| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 35 | Yes |
Popular Name: 2-[[(2S)-2-amino-3-phenyl-propyl]amino]-3-methyl-5-(2-naphthyl)-6-(4-pyridyl)pyrimidin-4-one 2-[[(2S)-2-amino-3-phenyl-propyl…
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) | 3.88 | 14.15 | -68.85 | 4 | 6 | 1 | 87 | 462.577 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.88 | 14.43 | -115.85 | 5 | 6 | 2 | 89 | 463.585 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 76 | 0.28 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 75 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 220 | 0.27 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 35 | 0.30 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 220 | 0.27 | Binding ≤ 10μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 35 | 0.30 | 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 | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| FCERI mediated MAPK activation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| VEGFA-VEGFR2 Pathway |
