| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4556656
Max Phase: Preclinical
Molecular Formula: C3H6O4
Molecular Weight: 106.08
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)[C@@H](O)CO
Standard InChI: InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1
Standard InChI Key: RBNPOMFGQQGHHO-REOHCLBHSA-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: 106.08 | Molecular Weight (Monoisotopic): 106.0266 | AlogP: -1.58 | #Rotatable Bonds: 2 |
| Polar Surface Area: 77.76 | Molecular Species: ACID | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.42 | CX Basic pKa: | CX LogP: -1.52 | CX LogD: -4.92 |
| Aromatic Rings: 0 | Heavy Atoms: 7 | QED Weighted: 0.40 | Np Likeness Score: 1.92 |
References
| 1. (2018) Modulators of Prostate-Specific G-Protein Receptor (PSGR/OR51E2) and Methods of Using Same, |
Source
Source(1):