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ID: ALA1392523
Max Phase: Preclinical
Molecular Formula: C12H19O5P
Molecular Weight: 274.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOP(=O)(Cc1ccc(C(=O)CC)o1)OCC
Standard InChI: InChI=1S/C12H19O5P/c1-4-11(13)12-8-7-10(17-12)9-18(14,15-5-2)16-6-3/h7-8H,4-6,9H2,1-3H3
Standard InChI Key: ZKIDIYAIQNHGFJ-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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: 274.25 | Molecular Weight (Monoisotopic): 274.0970 | AlogP: 3.64 | #Rotatable Bonds: 8 |
| Polar Surface Area: 65.74 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.32 | CX LogD: 1.32 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.53 | Np Likeness Score: -0.41 |
References
| 1. PubChem BioAssay data set, |
