| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 28 | No |
Popular Name: SNS-314 SNS-314
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1057249-41-8 , 1146618-41-8 , [1057249-41-8] , [1146618-41-8]
1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
| 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) | 4.24 | 8.72 | -19.17 | 3 | 7 | 0 | 92 | 430.946 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 7.24 | -41.39 | 4 | 7 | 1 | 97 | 431.954 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.24 | 9.18 | -41.67 | 4 | 7 | 1 | 93 | 431.954 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 7.46 | -37.57 | 4 | 7 | 1 | 97 | 431.954 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 9.71e-03 g/l | DrugBank-experimental |
| Target | Aurora Kinase | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-1-E | Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9 | 0.40 | Binding ≤ 10μM |
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 31 | 0.38 | Binding ≤ 10μM |
| CSF1R-1-E | Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 15 | 0.39 | Binding ≤ 10μM |
| DDR2-1-E | Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 82 | 0.35 | Binding ≤ 10μM |
| NTRK1-1-E | Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.40 | Binding ≤ 10μM |
| NTRK2-1-E | Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| RAF1-1-E | Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.35 | Binding ≤ 10μM |
| UFO-1-E | Tyrosine-protein Kinase Receptor UFO (cluster #1 Of 1), Eukaryotic | Eukaryotes | 84 | 0.35 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 14 | 0.39 | Binding ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 6 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DDR2_HUMAN | Q16832 | Discoidin Domain-containing Receptor 2, Human | 82 | 0.35 | Binding ≤ 1μM |
| CSF1R_HUMAN | P07333 | Macrophage Colony Stimulating Factor Receptor, Human | 15 | 0.39 | Binding ≤ 1μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 12 | 0.40 | Binding ≤ 1μM |
| NTRK2_HUMAN | Q16620 | Neurotrophic Tyrosine Kinase Receptor Type 2, Human | 5 | 0.42 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 9 | 0.40 | Binding ≤ 1μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 31 | 0.38 | Binding ≤ 1μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 100 | 0.35 | Binding ≤ 1μM |
| UFO_HUMAN | P30530 | Tyrosine-protein Kinase Receptor UFO, Human | 84 | 0.35 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 14 | 0.39 | Binding ≤ 1μM |
| DDR2_HUMAN | Q16832 | Discoidin Domain-containing Receptor 2, Human | 82 | 0.35 | Binding ≤ 10μM |
| CSF1R_HUMAN | P07333 | Macrophage Colony Stimulating Factor Receptor, Human | 15 | 0.39 | Binding ≤ 10μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 12 | 0.40 | Binding ≤ 10μM |
| NTRK2_HUMAN | Q16620 | Neurotrophic Tyrosine Kinase Receptor Type 2, Human | 5 | 0.42 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 9 | 0.40 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 31 | 0.38 | Binding ≤ 10μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 100 | 0.35 | Binding ≤ 10μM |
| UFO_HUMAN | P30530 | Tyrosine-protein Kinase Receptor UFO, Human | 84 | 0.35 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 14 | 0.39 | Binding ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 16 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| ARMS-mediated activation | |
| CREB phosphorylation through the activation of Ras | |
| Frs2-mediated activation | |
| GP1b-IX-V activation signalling | |
| MEK activation | |
| Mitotic Prometaphase | |
| NGF-independant TRKA activation | |
| Non-integrin membrane-ECM interactions | |
| PI3K/AKT activation | |
| PLC-gamma1 signalling | |
| RAF activation | |
| RAF phosphorylates MEK | |
| Rap1 signalling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Retrograde neurotrophin signalling | |
| Separation of Sister Chromatids | |
| Signalling to p38 via RIT and RIN | |
| Signalling to RAS | |
| Signalling to STAT3 | |
| Stimuli-sensing channels | |
| TRKA activation by NGF | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.