| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3939016
Max Phase: Preclinical
Molecular Formula: C18H12O4
Molecular Weight: 292.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CC(=O)C1C(=O)c2ccccc2C1=O)c1ccccc1
Standard InChI: InChI=1S/C18H12O4/c19-14(11-6-2-1-3-7-11)10-15(20)16-17(21)12-8-4-5-9-13(12)18(16)22/h1-9,16H,10H2
Standard InChI Key: HUBPJGKAHBSLKO-UHFFFAOYSA-N
Associated Targets(Human)
ADP/ATP translocase 2 249 Activities
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: 292.29 | Molecular Weight (Monoisotopic): 292.0736 | AlogP: 2.52 | #Rotatable Bonds: 4 |
| Polar Surface Area: 68.28 | Molecular Species: ACID | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.32 | CX Basic pKa: | CX LogP: 2.91 | CX LogD: 0.82 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.64 | Np Likeness Score: 0.06 |
References
| 1. (2009) ANT2 inhibitor compounds and methods of use thereof, |
Source
Source(1):