| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | No |
Popular Name: 1,8-Naphthalimide 1,8-Naphthalimide
1H-benzo[de]isoquinoline-1,3(2H)-dione
2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione
3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione
| 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) | 1.99 | 3.7 | -11.07 | 1 | 3 | 0 | 50 | 197.193 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 299 - 300 | Enamine Building Blocks |
| Melting_Point | 299-303? | Alfa-Aesar |
| Melting_Point | 299-303° | Alfa-Aesar |
| MP | 299...300 | Enamine Building Blocks |
| mp | 301 - 302 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| 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 | 1400 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 1400 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Downregulation of SMAD2/3:SMAD4 transcriptional activity |
