| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4574750
Max Phase: Preclinical
Molecular Formula: C10H12N5O6P
Molecular Weight: 329.21
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1ncnc2c1ncn2C1OC(CO)C2OP(=O)(O)OC21
Standard InChI: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)
Standard InChI Key: KMYWVDDIPVNLME-UHFFFAOYSA-N
Associated Targets(Human)
Olfactory receptor 51E2 144 Activities
Molecule Features
| Natural Product: Yes | 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: 329.21 | Molecular Weight (Monoisotopic): 329.0525 | AlogP: -0.82 | #Rotatable Bonds: 2 |
| Polar Surface Area: 154.84 | Molecular Species: ACID | HBA: 10 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 1.76 | CX Basic pKa: 4.92 | CX LogP: -3.46 | CX LogD: -3.69 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.60 | Np Likeness Score: 1.12 |
References
| 1. (2018) Modulators of Prostate-Specific G-Protein Receptor (PSGR/OR51E2) and Methods of Using Same, |
Source
Source(1):