| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 34 | Yes |
Popular Name: 1-benzyl-5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-indoline-2,3-dione 1-benzyl-5-[2-(phenoxymethyl)pyr…
None
| 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) | 3.85 | 10.2 | -15.53 | 0 | 7 | 0 | 86 | 476.554 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1001933A1; WO1999006367A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CASP3-1-E | Caspase-3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 42 | 0.30 | Binding ≤ 10μM |
| CASP7-1-E | Caspase-7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 29 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CASP3_HUMAN | P42574 | Caspase-3, Human | 12.2 | 0.33 | Binding ≤ 1μM |
| CASP7_HUMAN | P55210 | Caspase-7, Human | 28 | 0.31 | Binding ≤ 1μM |
| CASP3_HUMAN | P42574 | Caspase-3, Human | 12.2 | 0.33 | Binding ≤ 10μM |
| CASP7_HUMAN | P55210 | Caspase-7, Human | 28 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of caspases through apoptosome-mediated cleavage | |
| Activation of DNA fragmentation factor | |
| Apoptotic cleavage of cell adhesion proteins | |
| Apoptotic cleavage of cellular proteins | |
| Caspase-mediated cleavage of cytoskeletal proteins | |
| Degradation of the extracellular matrix | |
| NADE modulates death signalling | |
| Role of DCC in regulating apoptosis | |
| Signaling by Hippo | |
| SMAC binds to IAPs | |
| SMAC-mediated dissociation of IAP:caspase complexes | |
| Stimulation of the cell death response by PAK-2p34 |
