| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | No |
Popular Name: Necrostatin-1 Necrostatin-1
Find On: PubMed — Wikipedia — Google
CAS Number: 4311-88-0
5-(1H-Indol-3-ylmethyl)-2-mercapto-3-methyl-3,5-dihydro-imidazol-4-one
5-(1H-Indol-3-ylmethyl)-3-methyl-2-thioxo-imidazolidin-4-one
| 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) | 1.66 | 6.08 | -11.19 | 2 | 4 | 0 | 48 | 259.334 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Blocks non-apoptotic cell death via inhibition of a specific cellular pathway, necroptosis, which leads to necrosis. | IBScreen Bioactives |
| biological_use | Reduces ischaemic brain injury in a mouse model of stroke | IBScreen Bioactives |
| Target | TNF-alpha | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RIPK1-1-E | Receptor-interacting Serine/threonine-protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 182 | 0.52 | Binding ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 490 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RIPK1_HUMAN | Q13546 | Receptor-interacting Serine/threonine-protein Kinase 1, Human | 182 | 0.52 | Binding ≤ 1μM |
| RIPK1_HUMAN | Q13546 | Receptor-interacting Serine/threonine-protein Kinase 1, Human | 182 | 0.52 | Binding ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 490 | 0.49 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Caspase-8 activation by cleavage | |
| Dimerization of procaspase-8 | |
| IKK complex recruitment mediated by RIP1 | |
| NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 | |
| Regulation by c-FLIP | |
| RIP-mediated NFkB activation via ZBP1 | |
| TNF signaling | |
| TRIF-mediated programmed cell death | |
| TRP channels |
