| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4743647
Max Phase: Preclinical
Molecular Formula: C22H34O3
Molecular Weight: 346.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCC/C=C/c1ccc(O)c(C(=O)O)c1
Standard InChI: InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-21(23)20(18-19)22(24)25/h14-18,23H,2-13H2,1H3,(H,24,25)/b15-14+
Standard InChI Key: PBEUBHYFOTUZEO-CCEZHUSRSA-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: 346.51 | Molecular Weight (Monoisotopic): 346.2508 | AlogP: 6.80 | #Rotatable Bonds: 14 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 2.72 | CX Basic pKa: | CX LogP: 8.44 | CX LogD: 4.94 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.36 | Np Likeness Score: 0.76 |
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):