| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3715966
Max Phase: Preclinical
Molecular Formula: C24H15F5O3S
Molecular Weight: 478.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cc(-c2csc(C(O)C(F)F)c2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
Standard InChI: InChI=1S/C24H15F5O3S/c25-22(26)21(30)20-10-16(11-33-20)19-9-15(23(31)32)8-14-7-13(3-6-18(14)19)12-1-4-17(5-2-12)24(27,28)29/h1-11,21-22,30H,(H,31,32)
Standard InChI Key: OCZVPEQORVEFIP-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: 478.44 | Molecular Weight (Monoisotopic): 478.0662 | AlogP: 7.25 | #Rotatable Bonds: 5 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.91 | CX Basic pKa: | CX LogP: 6.46 | CX LogD: 3.26 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.30 | Np Likeness Score: -0.41 |
References
| 1. (2010) Substituted 2-naphthoic acids as antagonists of gpr105 activity, |
Source
Source(1):