| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4846977
Max Phase: Preclinical
Molecular Formula: C25H24F3N3O3
Molecular Weight: 471.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC[C@@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
Standard InChI: InChI=1S/C25H24F3N3O3/c1-34-14-17(32)13-30-25(33)19-3-2-4-22-18(19)6-8-31(22)23-12-15(5-7-29-23)9-16-10-20(26)24(28)21(27)11-16/h2-5,7,10-12,17,32H,6,8-9,13-14H2,1H3,(H,30,33)/t17-/m0/s1
Standard InChI Key: SJZJTFDXJNCVEL-KRWDZBQOSA-N
Associated Targets(Human)
Probable G-protein coupled receptor 52 435 Activities
Associated Targets(non-human)
G-protein coupled receptor 52 24 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 471.48 | Molecular Weight (Monoisotopic): 471.1770 | AlogP: 3.52 | #Rotatable Bonds: 8 |
| Polar Surface Area: 74.69 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.56 | CX LogP: 3.97 | CX LogD: 3.96 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.49 | Np Likeness Score: -1.03 |
References
| 1. (2020) 1-heteroaryl-indoline-4-carboxamides as modulators of gpr52 useful for the treatment or prevention of disorders related thereto, |
Source
Source(1):