| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3717714
Max Phase: Preclinical
Molecular Formula: C26H22O5
Molecular Weight: 414.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1COc1cc(C(=O)O)cc2cc(OCc3ccccc3)ccc12
Standard InChI: InChI=1S/C26H22O5/c1-29-24-10-6-5-9-19(24)17-31-25-15-21(26(27)28)13-20-14-22(11-12-23(20)25)30-16-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,27,28)
Standard InChI Key: OOMVZMBAXRQHKS-UHFFFAOYSA-N
Associated Targets(non-human)
Uncharacterized protein 40 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: 414.46 | Molecular Weight (Monoisotopic): 414.1467 | AlogP: 5.70 | #Rotatable Bonds: 8 |
| Polar Surface Area: 64.99 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.75 | CX Basic pKa: | CX LogP: 5.60 | CX LogD: 2.31 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.40 | Np Likeness Score: -0.27 |
References
| 1. (2010) Substituted 2-naphthoic acids as antagonists of gpr105 activity, |
Source
Source(1):