| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4864048
Max Phase: Preclinical
Molecular Formula: C25H24F3N3O3
Molecular Weight: 471.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NC[C@@H](F)CO)c2)cc1F
Standard InChI: InChI=1S/C25H24F3N3O3/c1-34-22-5-2-15(11-20(22)28)10-16-6-8-29-23(12-16)31-9-7-18-21(31)4-3-19(27)24(18)25(33)30-13-17(26)14-32/h2-6,8,11-12,17,32H,7,9-10,13-14H2,1H3,(H,30,33)/t17-/m1/s1
Standard InChI Key: NHGMCYVIKOXUOZ-QGZVFWFLSA-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: 3.71 | #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: 13.40 | CX Basic pKa: 5.63 | CX LogP: 3.92 | CX LogD: 3.91 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.52 | 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):