| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2414976
Max Phase: Preclinical
Molecular Formula: C14H12N2
Molecular Weight: 208.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc2c3c([nH]c2c1)-c1[nH]ccc1CC3
Standard InChI: InChI=1S/C14H12N2/c1-2-4-12-10(3-1)11-6-5-9-7-8-15-13(9)14(11)16-12/h1-4,7-8,15-16H,5-6H2
Standard InChI Key: PZQQCZIHXXNAIX-UHFFFAOYSA-N
Associated Targets(Human)
MAPK10 Tchem Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1 (33 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 208.26 | Molecular Weight (Monoisotopic): 208.1000 | AlogP: 3.26 | #Rotatable Bonds: 0 |
| Polar Surface Area: 31.58 | Molecular Species: NEUTRAL | HBA: 0 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.20 | CX LogD: 3.20 |
| Aromatic Rings: 3 | Heavy Atoms: 16 | QED Weighted: 0.57 | Np Likeness Score: 0.36 |
References
| 1. Wu Z, Li Y, Cai Y, Yuan J, Yuan C.. (2013) A novel necroptosis inhibitor-necrostatin-21 and its SAR study., 23 (17): [PMID:23886688] [10.1016/j.bmcl.2013.06.073] |
Source
Source(1):