| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5279437
Max Phase: Preclinical
Molecular Formula: C15H25NO4
Molecular Weight: 283.37
Associated Items:
Representations
Canonical SMILES: CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC
Standard InChI: InChI=1S/C15H25NO4/c1-5-15(3,4)12(17)13(18)16-10-8-7-9-11(16)14(19)20-6-2/h11H,5-10H2,1-4H3/t11-/m0/s1
Standard InChI Key: CAXFSIWSCHLEMR-NSHDSACASA-N
Associated Targets(Human)
FK506-binding protein 1A 1014 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: 283.37 | Molecular Weight (Monoisotopic): 283.1784 | AlogP: 1.94 | #Rotatable Bonds: 5 |
| Polar Surface Area: 63.68 | 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: 2.99 | CX LogD: 2.99 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.57 | Np Likeness Score: -0.47 |
References
| 1. Dunyak BM, Gestwicki JE.. (2016) Peptidyl-Proline Isomerases (PPIases): Targets for Natural Products and Natural Product-Inspired Compounds., 59 (21): [PMID:27409354] [10.1021/acs.jmedchem.6b00411] |
Source
Source(1):