| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4878629
Max Phase: Preclinical
Molecular Formula: C24H22F3N3O2
Molecular Weight: 441.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@H](O)CNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
Standard InChI: InChI=1S/C24H22F3N3O2/c1-14(31)13-29-24(32)18-3-2-4-21-17(18)6-8-30(21)22-12-15(5-7-28-22)9-16-10-19(25)23(27)20(26)11-16/h2-5,7,10-12,14,31H,6,8-9,13H2,1H3,(H,29,32)/t14-/m0/s1
Standard InChI Key: SEPZBDMAVFVQDK-AWEZNQCLSA-N
Associated Targets(Human)
Probable G-protein coupled receptor 52 435 Activities
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: 441.45 | Molecular Weight (Monoisotopic): 441.1664 | AlogP: 3.89 | #Rotatable Bonds: 6 |
| Polar Surface Area: 65.46 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.56 | CX LogP: 4.37 | CX LogD: 4.37 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.57 | Np Likeness Score: -1.01 |
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):