| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2009 | 32 | Yes |
Popular Name: 2-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzamide 2-[[3-[4-(cyclopentanecarbonyl)p…
| 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) | 2.85 | 9.11 | -21.55 | 2 | 7 | 0 | 93 | 435.524 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1-3-E | Poly [ADP-ribose] Polymerase 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 188 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 188 | 0.29 | Binding ≤ 1μM |
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 188 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Downregulation of SMAD2/3:SMAD4 transcriptional activity |
