| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4788049
Max Phase: Preclinical
Molecular Formula: C15H20O3
Molecular Weight: 248.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCC/C=C/c1cccc(O)c1C(=O)O
Standard InChI: InChI=1S/C15H20O3/c1-2-3-4-5-6-7-9-12-10-8-11-13(16)14(12)15(17)18/h7-11,16H,2-6H2,1H3,(H,17,18)/b9-7+
Standard InChI Key: LHIPZDAWLRZGBQ-VQHVLOKHSA-N
Associated Targets(Human)
Small ubiquitin-related modifier 1 633 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 248.32 | Molecular Weight (Monoisotopic): 248.1412 | AlogP: 4.07 | #Rotatable Bonds: 7 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.52 | CX Basic pKa: | CX LogP: 5.32 | CX LogD: 1.81 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.71 | Np Likeness Score: 1.11 |
References
| 1. Brackett CM,García-Casas A,Castillo-Lluva S,Blagg BSJ. (2020) Synthesis and Evaluation of Ginkgolic Acid Derivatives as SUMOylation Inhibitors., 11 (11): [PMID:33214832] [10.1021/acsmedchemlett.0c00353] |
Source
Source(1):