| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
DDD00090906
ID: ALA5308349
Chembl Id: CHEMBL5308349
Max Phase: Preclinical
Molecular Formula: C18H19NO3
Molecular Weight: 297.35
Associated Items:
Names and Identifiers
Canonical SMILES: O=C(O)C1CCCN(C(=O)c2ccc3ccccc3c2)CC1
Standard InChI: InChI=1S/C18H19NO3/c20-17(19-10-3-6-14(9-11-19)18(21)22)16-8-7-13-4-1-2-5-15(13)12-16/h1-2,4-5,7-8,12,14H,3,6,9-11H2,(H,21,22)
Standard InChI Key: LDHNGZPJLRWSPG-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: 297.35 | Molecular Weight (Monoisotopic): 297.1365 | AlogP: 3.17 | #Rotatable Bonds: 2 |
| Polar Surface Area: 57.61 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 4.34 | CX Basic pKa: ┄ | CX LogP: 2.78 | CX LogD: -0.16 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.93 | Np Likeness Score: -1.02 |
References
| 1. Izquierdo, M; Lin, D; De Rycker, M. (2023) RapidFire TcLAP Compounds Screening, [10.6019/CHEMBL5305021] |
Source
Source(1):