| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5220750
Max Phase: Preclinical
Molecular Formula: C19H27N3O3
Molecular Weight: 345.44
Associated Items:
Representations
Canonical SMILES: NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O/C=C/c1ccccc1
Standard InChI: InChI=1S/C19H27N3O3/c20-12-5-4-9-16(21)18(23)22-13-6-10-17(22)19(24)25-14-11-15-7-2-1-3-8-15/h1-3,7-8,11,14,16-17H,4-6,9-10,12-13,20-21H2/b14-11+/t16-,17-/m0/s1
Standard InChI Key: UOCLONDMRZZPTA-JZHLQLGQSA-N
Associated Targets(Human)
Dipeptidyl peptidase IV 7109 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: 345.44 | Molecular Weight (Monoisotopic): 345.2052 | AlogP: 1.65 | #Rotatable Bonds: 8 |
| Polar Surface Area: 98.65 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.21 | CX LogP: 1.28 | CX LogD: -2.39 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.42 | Np Likeness Score: 0.52 |
References
| 1. Vivesh, Kaur B, Jaglan S, Rani S, Batra Y, Singh P.. (2022) Proline based rationally designed peptide esters against dipeptidyl peptidase-4: Highly potent anti-diabetic agents., 76 [PMID:36209967] [10.1016/j.bmcl.2022.129018] |
Source
Source(1):