| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277780
Max Phase: Preclinical
Molecular Formula: C15H14O4
Molecular Weight: 258.27
Associated Items:
Representations
Canonical SMILES: C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@H]4OC(=O)C(=CC[C@@H]12)[C@@H]34
Standard InChI: InChI=1S/C15H14O4/c1-6-5-10-12-9(15(17)18-10)4-3-8-7(2)14(16)19-13(8)11(6)12/h4-5,8,10-13H,2-3H2,1H3/t8-,10+,11-,12+,13-/m0/s1
Standard InChI Key: ORHPRDZMCSAHDB-YKDBICPDSA-N
Associated Targets(Human)
Cathepsin L 3852 Activities
Cathepsin B 3822 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 258.27 | Molecular Weight (Monoisotopic): 258.0892 | AlogP: 1.53 | #Rotatable Bonds: 0 |
| Polar Surface Area: 52.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.90 | CX LogD: 1.90 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.38 | Np Likeness Score: 3.23 |
References
| 1. Asakawa Y, Ludwiczuk A.. (2018) Chemical Constituents of Bryophytes: Structures and Biological Activity., 81 (3): [PMID:29019405] [10.1021/acs.jnatprod.6b01046] |
Source
Source(1):