| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4759133
Max Phase: Preclinical
Molecular Formula: C4H11NO6P2
Molecular Weight: 231.08
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)NCP(=O)(O)CP(=O)(O)O
Standard InChI: InChI=1S/C4H11NO6P2/c1-4(6)5-2-12(7,8)3-13(9,10)11/h2-3H2,1H3,(H,5,6)(H,7,8)(H2,9,10,11)
Standard InChI Key: CQKMLWWUVPEBQC-UHFFFAOYSA-N
Associated Targets(Human)
Farnesyl diphosphate synthase 1240 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 231.08 | Molecular Weight (Monoisotopic): 231.0062 | AlogP: -0.51 | #Rotatable Bonds: 4 |
| Polar Surface Area: 123.93 | Molecular Species: ACID | HBA: 3 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.15 | CX Basic pKa: | CX LogP: -2.44 | CX LogD: -7.11 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.48 | Np Likeness Score: 0.05 |
References
| 1. Abdelmagid WM,Mahmoodi N,Tanner ME. (2020) A guanidinium-based inhibitor of a type I isopentenyl diphosphate isomerase., 30 (22): [PMID:32979487] [10.1016/j.bmcl.2020.127577] |
Source
Source(1):