| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4878523
Max Phase: Preclinical
Molecular Formula: C20H34FO2P
Molecular Weight: 356.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCP(=O)(O)F
Standard InChI: InChI=1S/C20H34FO2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-
Standard InChI Key: SSHNISHEMOJODV-DOFZRALJSA-N
Associated Targets(Human)
PARL Tchem Presenilins-associated rhomboid-like protein, mitochondrial (56 Activities)
Associated Targets(non-human)
glpG Rhomboid protease GlpG (20 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 356.46 | Molecular Weight (Monoisotopic): 356.2280 | AlogP: 7.29 | #Rotatable Bonds: 15 |
| Polar Surface Area: 37.30 | Molecular Species: ACID | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 0.03 | CX Basic pKa: | CX LogP: 6.28 | CX LogD: 3.97 |
| Aromatic Rings: 0 | Heavy Atoms: 24 | QED Weighted: 0.19 | Np Likeness Score: 0.81 |
References
| 1. Parsons WH, Rutland NT, Crainic JA, Cardozo JM, Chow AS, Andrews CL, Sheehan BK.. (2021) Development of succinimide-based inhibitors for the mitochondrial rhomboid protease PARL., 49 [PMID:34311087] [10.1016/j.bmcl.2021.128290] |
Source
Source(1):