| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2007 | 15 | Yes |
Popular Name: 2-methylpyrazolo[1,5-a]quinazolin-5(4H)-one 2-methylpyrazolo[1,5-a]quinazoli…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25468-50-2 , [25468-50-2]
| 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) | 2.22 | 2.9 | -49.61 | 0 | 4 | -1 | 53 | 198.205 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 2.14 | -11.16 | 1 | 4 | 0 | 50 | 199.213 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 278 - 282 | Enamine Building Blocks |
| MP | 279 - 281 | Enamine Building Blocks |
| MP | 279...281 | Enamine Building Blocks |
| MP | 284 - 286 | Enamine Building Blocks |
| melting_point | 288 - 290 | KeyOrganics |
| MP | 288-290° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1-2-E | Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 300 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 300 | 0.61 | Binding ≤ 1μM |
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 300 | 0.61 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Downregulation of SMAD2/3:SMAD4 transcriptional activity |
