Name And Identifier
ID: ALA1732315
Max Phase: Preclinical
Molecular Formula: C15H12O3
Molecular Weight: 240.26
Molecule Type: Small molecule
Representations
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
Alternative Forms
Molecule Features
| Natural Product: Yes | Chemical Probe: No |
| Molecule Type: Small molecule | First In Class: No |
| Chirality: No | Prodrug: No |
| Oral: No | Parenteral: No |
| Topical: No | Black Box: No |
| Availability: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | Target Name | Target Type | Target Organism | Binding Site Name |
|---|
Activity Summary
| Bioactivity Summary | Count |
|---|---|
| Potency | 36 |
| AC50 | 1 |
| IC50 | 4 |
| Max_Activity_Concent | 1 |
| Assay Summary | Count |
|---|---|
| B-Binding | 6 |
| F-Functional | 36 |
Properties
| Molecular Weight: 240.26 | Molecular Weight (Monoisotopic): 240.0786 |
| AlogP: 3.70 | #Rotatable Bonds: 2 |
| Polar Surface Area: 43.35 | Molecular Species: NEUTRAL |
| HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 |
| HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: |
| CX LogP: 3.27 | CX LogD: 3.27 |
| Aromatic Rings: 2 | Heavy Atoms: 18 |
| QED Weighted: 0.75 | Np Likeness Score: -0.62 |
Source
Source(1):