| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2010 | 24 | Yes |
Popular Name: MK-4827 MK-4827
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1038915-60-4 , [1038915-60-4]
(S)-2-(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
| 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) | 2.02 | 6.15 | -60.48 | 4 | 5 | 1 | 78 | 321.404 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | PARP | 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 | 3 | 0.50 | Binding ≤ 10μM |
| PARP2-2-E | Poly [ADP-ribose] Polymerase 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.51 | Binding ≤ 10μM |
| PARP3-1-E | Poly [ADP-ribose] Polymerase 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.34 | Binding ≤ 10μM |
| PARP4-1-E | Poly [ADP-ribose] Polymerase 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 330 | 0.38 | Binding ≤ 10μM |
| TNKS1-1-E | Tankyrase-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 570 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP2_HUMAN | Q9UGN5 | Poly [ADP-ribose] Polymerase 2, Human | 2.1 | 0.51 | Binding ≤ 1μM |
| PARP4_HUMAN | Q9UKK3 | Poly [ADP-ribose] Polymerase 4, Human | 330 | 0.38 | Binding ≤ 1μM |
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 3.2 | 0.50 | Binding ≤ 1μM |
| TNKS1_HUMAN | O95271 | Tankyrase-1, Human | 570 | 0.36 | Binding ≤ 1μM |
| PARP2_HUMAN | Q9UGN5 | Poly [ADP-ribose] Polymerase 2, Human | 2.1 | 0.51 | Binding ≤ 10μM |
| PARP3_HUMAN | Q9Y6F1 | Poly [ADP-ribose] Polymerase 3, Human | 1300 | 0.34 | Binding ≤ 10μM |
| PARP4_HUMAN | Q9UKK3 | Poly [ADP-ribose] Polymerase 4, Human | 330 | 0.38 | Binding ≤ 10μM |
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 3.2 | 0.50 | Binding ≤ 10μM |
| TNKS1_HUMAN | O95271 | Tankyrase-1, Human | 570 | 0.36 | Binding ≤ 10μM |
| 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.