| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985400
Max Phase: Preclinical
Molecular Formula: C25H21NO3S
Molecular Weight: 415.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CC(c1cccc(-c2cccc(OCc3ccccc3)c2)c1)c1nccs1
Standard InChI: InChI=1S/C25H21NO3S/c27-24(28)16-23(25-26-12-13-30-25)21-10-4-8-19(14-21)20-9-5-11-22(15-20)29-17-18-6-2-1-3-7-18/h1-15,23H,16-17H2,(H,27,28)
Standard InChI Key: UBBMIJGMBAYPCT-UHFFFAOYSA-N
Associated Targets(Human)
Lysosomal protective protein 919 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: 415.51 | Molecular Weight (Monoisotopic): 415.1242 | AlogP: 6.00 | #Rotatable Bonds: 8 |
| Polar Surface Area: 59.42 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.40 | CX Basic pKa: 2.32 | CX LogP: 5.47 | CX LogD: 2.57 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.38 | Np Likeness Score: -0.54 |
References
| 1. (2015) Biaryl-propionic acid derivatives and their use as pharmaceuticals, |
Source
Source(1):