| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 22 | Yes |
Popular Name: 3-(4-fluorophenyl)-2-(4-pyridyl)-1H-pyrrolo[3,2-c]pyridine 3-(4-fluorophenyl)-2-(4-pyridyl)…
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) | 3.34 | 0.19 | -7.5 | 1 | 3 | 0 | 42 | 289.313 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | 0.3 | -38.64 | 2 | 3 | 1 | 43 | 290.321 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | 0.3 | -42.3 | 2 | 3 | 1 | 43 | 290.321 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | 0.41 | -85.08 | 3 | 3 | 2 | 44 | 291.329 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3100 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 3100 | 0.35 | 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 | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| VEGFA-VEGFR2 Pathway |
