| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA87028
Max Phase: Preclinical
Molecular Formula: C17H30O6
Molecular Weight: 330.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCC(C(=O)O)C(C(=O)O)C(=O)O
Standard InChI: InChI=1S/C17H30O6/c1-2-3-4-5-6-7-8-9-10-11-12-13(15(18)19)14(16(20)21)17(22)23/h13-14H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)
Standard InChI Key: CYFNDMRQNSYGBW-UHFFFAOYSA-N
Associated Targets(Human)
Protein farnesyl/geranylgeranyl transferase 143 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 330.42 | Molecular Weight (Monoisotopic): 330.2042 | AlogP: 3.78 | #Rotatable Bonds: 15 |
| Polar Surface Area: 111.90 | Molecular Species: ACID | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.50 | CX Basic pKa: | CX LogP: 4.77 | CX LogD: -1.47 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.31 | Np Likeness Score: 0.62 |
References
| 1. Marson CM, Rioja AS, Brooke G, Coombes RC, Vigushin DM.. (2002) Cyclic acid anhydrides as a new class of potent, selective and non-peptidic inhibitors of geranylgeranyl transferase., 12 (2): [PMID:11755366] [10.1016/s0960-894x(01)00718-1] |
Source
Source(1):