| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4873666
Max Phase: Preclinical
Molecular Formula: C23H20F3N3O2
Molecular Weight: 427.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)c(F)c(F)c2)ccn1
Standard InChI: InChI=1S/C23H20F3N3O2/c24-18-11-15(12-19(25)22(18)26)10-14-4-6-27-21(13-14)29-8-5-16-17(2-1-3-20(16)29)23(31)28-7-9-30/h1-4,6,11-13,30H,5,7-10H2,(H,28,31)
Standard InChI Key: HJQCELFTHPDMIP-UHFFFAOYSA-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: 427.43 | Molecular Weight (Monoisotopic): 427.1508 | AlogP: 3.51 | #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: 3.96 | CX LogD: 3.95 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.59 | Np Likeness Score: -1.08 |
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):