| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3719160
Max Phase: Preclinical
Molecular Formula: C27H22O5
Molecular Weight: 426.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc(C)c1COc1ccc2c(-c3ccc4c(c3)OCO4)cc(C(=O)O)cc2c1
Standard InChI: InChI=1S/C27H22O5/c1-16-4-3-5-17(2)24(16)14-30-21-7-8-22-19(11-21)10-20(27(28)29)12-23(22)18-6-9-25-26(13-18)32-15-31-25/h3-13H,14-15H2,1-2H3,(H,28,29)
Standard InChI Key: JOGSWTGSSAHJRM-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: 426.47 | Molecular Weight (Monoisotopic): 426.1467 | AlogP: 6.13 | #Rotatable Bonds: 5 |
| 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: 3.91 | CX Basic pKa: | CX LogP: 6.48 | CX LogD: 3.28 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.42 | Np Likeness Score: -0.11 |
References
| 1. (2010) Substituted 2-naphthoic acids as antagonists of gpr105 activity, |
Source
Source(1):