| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5219720
Max Phase: Preclinical
Molecular Formula: C15H8O7
Molecular Weight: 300.22
Associated Items:
Representations
Canonical SMILES: O=C1Cc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
Standard InChI: InChI=1S/C15H8O7/c16-7-2-5-10-6(3-8(17)12(5)19)15(21)22-14-11(10)4(7)1-9(18)13(14)20/h1,3,17-20H,2H2
Standard InChI Key: KYXLHCQSLKXNMU-UHFFFAOYSA-N
Associated Targets(Human)
Cysteine protease ATG4B 985 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: 300.22 | Molecular Weight (Monoisotopic): 300.0270 | AlogP: 1.51 | #Rotatable Bonds: 0 |
| Polar Surface Area: 128.20 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.75 | CX Basic pKa: | CX LogP: 1.78 | CX LogD: 0.87 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.28 | Np Likeness Score: 1.58 |
References
| 1. Yang G, Li Y, Zhao Y, Ouyang L, Chen Y, Liu B, Liu J.. (2021) Targeting Atg4B for cancer therapy: Chemical mediators., 209 [PMID:33077263] [10.1016/j.ejmech.2020.112917] |
Source
Source(1):