| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA85178
Max Phase: Preclinical
Molecular Formula: C16H24O4
Molecular Weight: 280.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)C1CC=C(CCC=C(C)C)CC1C(=O)OC
Standard InChI: InChI=1S/C16H24O4/c1-11(2)6-5-7-12-8-9-13(15(17)19-3)14(10-12)16(18)20-4/h6,8,13-14H,5,7,9-10H2,1-4H3
Standard InChI Key: WXDFWDQNWXHXGN-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: 280.36 | Molecular Weight (Monoisotopic): 280.1675 | AlogP: 3.03 | #Rotatable Bonds: 5 |
| Polar Surface Area: 52.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.95 | CX LogD: 2.95 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.57 | Np Likeness Score: 1.58 |
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):