| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5306089
Max Phase: Preclinical
Molecular Formula: C15H22N2O3S
Molecular Weight: 310.42
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCCC2)cc1
Standard InChI: InChI=1S/C15H22N2O3S/c1-12-7-9-14(10-8-12)21(19,20)16-11-15(18)17-13-5-3-2-4-6-13/h7-10,13,16H,2-6,11H2,1H3,(H,17,18)
Standard InChI Key: MLQKVXGWEKPVQW-UHFFFAOYSA-N
Associated Targets(non-human)
Aminopeptidase 3328 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 310.42 | Molecular Weight (Monoisotopic): 310.1351 | AlogP: 1.72 | #Rotatable Bonds: 5 |
| Polar Surface Area: 75.27 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.38 | CX Basic pKa: | CX LogP: 2.01 | CX LogD: 2.01 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.87 | Np Likeness Score: -1.63 |
References
| 1. Izquierdo, M; Lin, D; De Rycker, M. (2023) RapidFire TcLAP Compounds Screening, [10.6019/CHEMBL5305021] |
Source
Source(1):