| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5306108
Max Phase: Preclinical
Molecular Formula: C19H26N2O3S
Molecular Weight: 362.50
Associated Items:
Representations
Canonical SMILES: CC1CCCCC1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
Standard InChI: InChI=1S/C19H26N2O3S/c1-13-4-2-3-5-17(13)20-25(23,24)16-8-9-18-15(12-16)10-11-21(18)19(22)14-6-7-14/h8-9,12-14,17,20H,2-7,10-11H2,1H3
Standard InChI Key: MFKNREIGVFIPBR-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: 362.50 | Molecular Weight (Monoisotopic): 362.1664 | AlogP: 2.84 | #Rotatable Bonds: 4 |
| Polar Surface Area: 66.48 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.16 | CX Basic pKa: | CX LogP: 2.89 | CX LogD: 2.89 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.90 | Np Likeness Score: -1.66 |
References
| 1. Izquierdo, M; Lin, D; De Rycker, M. (2023) RapidFire TcLAP Compounds Screening, [10.6019/CHEMBL5305021] |
Source
Source(1):