| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
DDD00091758
ID: ALA5306793
Chembl Id: CHEMBL5306793
Max Phase: Preclinical
Molecular Formula: C15H25NO3
Molecular Weight: 267.37
Associated Items:
Names and Identifiers
Canonical SMILES: O=C(O)C1CCCCC1C(=O)NCC1CCCCC1
Standard InChI: InChI=1S/C15H25NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)
Standard InChI Key: DHWIYWUGVWUKSL-UHFFFAOYSA-N
Alternative Forms
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 |
|---|
Calculated Properties
| Molecular Weight: 267.37 | Molecular Weight (Monoisotopic): 267.1834 | AlogP: 2.57 | #Rotatable Bonds: 4 |
| Polar Surface Area: 66.40 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 4.58 | CX Basic pKa: ┄ | CX LogP: 2.64 | CX LogD: -0.10 |
| Aromatic Rings: ┄ | Heavy Atoms: 19 | QED Weighted: 0.82 | Np Likeness Score: -0.44 |
References
| 1. Izquierdo, M; Lin, D; De Rycker, M. (2023) RapidFire TcLAP Compounds Screening, [10.6019/CHEMBL5305021] |
Source
Source(1):