| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 21 | No |
Popular Name: XAV939 XAV939
Find On: PubMed — Wikipedia — Google
CAS Numbers: 284028-89-3 , [284028-89-3]
2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiino[4,3-d]pyrimidin-4-ol
3,5,7,8-TETRAHYDRO-2-[4-(TRIFLUOROMETHYL)PHENYL]-4H-THIOPYRANO[4,3-D]PYRIMIDIN-4-OL
| 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) | 3.39 | 7.59 | -10.42 | 1 | 3 | 0 | 46 | 312.316 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.85 | 6.7 | -39.29 | 0 | 3 | -1 | 49 | 311.308 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | TNKS1_HUMAN; TNKS1_MOUSE; TNKS2_HUMAN; TNKS2_MOUSE | ChEBI |
| Target | Wnt/beta-catenin | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1-1-E | Poly [ADP-ribose] Polymerase 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 620 | 0.41 | Binding ≤ 10μM |
| TNKS1-1-E | Tankyrase-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.54 | Binding ≤ 10μM |
| TNKS2-1-E | Tankyrase-2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 620 | 0.41 | Binding ≤ 1μM |
| TNKS1_HUMAN | O95271 | Tankyrase-1, Human | 100 | 0.47 | Binding ≤ 1μM |
| TNKS2_HUMAN | Q9H2K2 | Tankyrase-2, Human | 10 | 0.53 | Binding ≤ 1μM |
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 620 | 0.41 | Binding ≤ 10μM |
| TNKS1_HUMAN | O95271 | Tankyrase-1, Human | 100 | 0.47 | Binding ≤ 10μM |
| TNKS2_HUMAN | Q9H2K2 | Tankyrase-2, Human | 10 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| XAV939 inhibits tankyrase, stabilizing AXIN |
| Description | Species |
|---|---|
| degradation of AXIN | |
| Downregulation of SMAD2/3:SMAD4 transcriptional activity | |
| TCF dependent signaling in response to WNT | |
| XAV939 inhibits tankyrase, stabilizing AXIN |
No pre-computed analogs available. Try a structural similarity search.