| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
IMIDAZOLINONE
ID: ALA2447922
Max Phase: Preclinical
Molecular Formula: C3H4N2O
Molecular Weight: 84.08
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1CN=CN1
Standard InChI: InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)
Standard InChI Key: CAAMSDWKXXPUJR-UHFFFAOYSA-N
Associated Targets(Human)
Olfactory receptor 51E2 144 Activities
Molecule Features
| Natural Product: Yes | 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: 84.08 | Molecular Weight (Monoisotopic): 84.0324 | AlogP: -0.86 | #Rotatable Bonds: 0 |
| Polar Surface Area: 41.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.29 | CX Basic pKa: 5.12 | CX LogP: -1.15 | CX LogD: -1.16 |
| Aromatic Rings: 0 | Heavy Atoms: 6 | QED Weighted: 0.41 | Np Likeness Score: 0.12 |
References
| 1. Unpublished dataset, |
| 2. (2018) Modulators of Prostate-Specific G-Protein Receptor (PSGR/OR51E2) and Methods of Using Same, |
Source
Source(2):