| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5285501
Max Phase: Preclinical
Molecular Formula: C26H21NO4
Molecular Weight: 411.46
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1ccc(-c2ccc(C(=O)O)c(OCc3cccc4ccccc34)c2)cc1
Standard InChI: InChI=1S/C26H21NO4/c1-17(28)27-22-12-9-18(10-13-22)20-11-14-24(26(29)30)25(15-20)31-16-21-7-4-6-19-5-2-3-8-23(19)21/h2-15H,16H2,1H3,(H,27,28)(H,29,30)
Standard InChI Key: WXUIWXMHRWMXLO-UHFFFAOYSA-N
Associated Targets(Human)
Farnesyl diphosphate synthase 1240 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: 411.46 | Molecular Weight (Monoisotopic): 411.1471 | AlogP: 5.74 | #Rotatable Bonds: 6 |
| Polar Surface Area: 75.63 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.72 | CX Basic pKa: | CX LogP: 5.07 | CX LogD: 1.77 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.42 | Np Likeness Score: -0.74 |
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):