| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5276821
Max Phase: Preclinical
Molecular Formula: C17H12O8
Molecular Weight: 344.28
Associated Items:
Representations
Canonical SMILES: COc1cc(C(=O)O)c2c(c1C)OC(=O)c1ccc(O)c(C=O)c1O2
Standard InChI: InChI=1S/C17H12O8/c1-7-12(23-2)5-9(16(20)21)15-13(7)25-17(22)8-3-4-11(19)10(6-18)14(8)24-15/h3-6,19H,1-2H3,(H,20,21)
Standard InChI Key: MWHVFRJRBAIOLR-UHFFFAOYSA-N
Associated Targets(non-human)
Geranylgeranyl transferase type-2 9 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: 344.28 | Molecular Weight (Monoisotopic): 344.0532 | AlogP: 2.54 | #Rotatable Bonds: 3 |
| Polar Surface Area: 119.36 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.33 | CX Basic pKa: | CX LogP: 3.03 | CX LogD: -0.81 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.50 | Np Likeness Score: 1.05 |
References
| 1. Gendaszewska-Darmach E, Garstka MA, Błażewska KM.. (2021) Targeting Small GTPases and Their Prenylation in Diabetes Mellitus., 64 (14.0): [PMID:34236862] [10.1021/acs.jmedchem.1c00410] |
Source
Source(1):