| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5275415
Max Phase: Preclinical
Molecular Formula: C21H38O7P2
Molecular Weight: 464.48
Associated Items:
Representations
Canonical SMILES: CC(C)=CCC/C(C)=C/COC(C/C=C(\C)CCC=C(C)C)(P(=O)(O)O)P(=O)(O)O
Standard InChI: InChI=1S/C21H38O7P2/c1-17(2)9-7-11-19(5)13-15-21(29(22,23)24,30(25,26)27)28-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-14+
Standard InChI Key: CYUCVWZCMHVVBQ-IWGRKNQJSA-N
Associated Targets(Human)
Geranylgeranyl pyrophosphate synthetase 715 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: 464.48 | Molecular Weight (Monoisotopic): 464.2093 | AlogP: 5.79 | #Rotatable Bonds: 13 |
| Polar Surface Area: 124.29 | Molecular Species: ACID | HBA: 3 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 0.68 | CX Basic pKa: | CX LogP: 4.21 | CX LogD: -0.72 |
| Aromatic Rings: 0 | Heavy Atoms: 30 | QED Weighted: 0.20 | Np Likeness Score: 0.97 |
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):