| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5306096
Max Phase: Preclinical
Molecular Formula: C15H14Cl2N2O3S2
Molecular Weight: 405.33
Associated Items:
Representations
Canonical SMILES: O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
Standard InChI: InChI=1S/C15H14Cl2N2O3S2/c16-12-3-1-11(2-4-12)15(20)18-7-9-19(10-8-18)24(21,22)14-6-5-13(17)23-14/h1-6H,7-10H2
Standard InChI Key: GHEOGDSVIUZACE-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: 405.33 | Molecular Weight (Monoisotopic): 403.9823 | AlogP: 3.20 | #Rotatable Bonds: 3 |
| Polar Surface Area: 57.69 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.28 | CX LogD: 3.28 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.79 | Np Likeness Score: -2.38 |
References
| 1. Izquierdo, M; Lin, D; De Rycker, M. (2023) RapidFire TcLAP Compounds Screening, [10.6019/CHEMBL5305021] |
Source
Source(1):