| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3715957
Max Phase: Preclinical
Molecular Formula: C23H16ClFO3S
Molecular Weight: 426.90
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(Cl)c(COc2ccc3c(-c4ccsc4)cc(C(=O)O)cc3c2)c1F
Standard InChI: InChI=1S/C23H16ClFO3S/c1-13-2-5-21(24)20(22(13)25)11-28-17-3-4-18-15(9-17)8-16(23(26)27)10-19(18)14-6-7-29-12-14/h2-10,12H,11H2,1H3,(H,26,27)
Standard InChI Key: FHIJHKXBLZZSQR-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: 426.90 | Molecular Weight (Monoisotopic): 426.0493 | AlogP: 6.95 | #Rotatable Bonds: 5 |
| Polar Surface Area: 46.53 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.91 | CX Basic pKa: | CX LogP: 6.87 | CX LogD: 3.67 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.38 | Np Likeness Score: -1.25 |
References
| 1. (2010) Substituted 2-naphthoic acids as antagonists of gpr105 activity, |
Source
Source(1):