| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 28 | No |
Popular Name: 5-[1-[(1S,2R)-2-hydroxycyclopentyl]-3-(4-pyridyl)pyrazol-4-yl]indan-1-one 5-[1-[(1S,2R)-2-hydroxycyclopent…
| 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) | 2.57 | 5.88 | -11.62 | 2 | 6 | 0 | 84 | 374.444 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.57 | 6.33 | -38.66 | 3 | 6 | 1 | 85 | 375.452 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF-1-E | Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| MK03-1-E | MAP Kinase ERK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 245 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK03_HUMAN | P27361 | MAP Kinase ERK1, Human | 245 | 0.33 | Binding ≤ 1μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 3.91 | 0.42 | Binding ≤ 1μM |
| MK03_HUMAN | P27361 | MAP Kinase ERK1, Human | 245 | 0.33 | Binding ≤ 10μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 3.91 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the AP-1 family of transcription factors | |
| Advanced glycosylation endproduct receptor signaling | |
| ARMS-mediated activation | |
| CREB phosphorylation through the activation of Ras | |
| ERK/MAPK targets | |
| ERK1 activation | |
| ERKs are inactivated | |
| FCERI mediated MAPK activation | |
| Frs2-mediated activation | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Growth hormone receptor signaling | |
| ISG15 antiviral mechanism | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of HSF1-mediated heat shock response | |
| RNA Polymerase I Promoter Opening | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signal attenuation | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Signalling to p38 via RIT and RIN | |
| Spry regulation of FGF signaling | |
| Thrombin signalling through proteinase activated receptors (PARs) |
