| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4877494
Max Phase: Preclinical
Molecular Formula: C22H17F4N3O
Molecular Weight: 415.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc(F)c(C(F)(F)F)c2)ccn1
Standard InChI: InChI=1S/C22H17F4N3O/c23-18-5-4-13(11-17(18)22(24,25)26)10-14-6-8-28-20(12-14)29-9-7-15-16(21(27)30)2-1-3-19(15)29/h1-6,8,11-12H,7,9-10H2,(H2,27,30)
Standard InChI Key: VDXLWEPBKWVERP-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 |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 415.39 | Molecular Weight (Monoisotopic): 415.1308 | AlogP: 4.62 | #Rotatable Bonds: 4 |
| Polar Surface Area: 59.22 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.58 | CX LogP: 5.02 | CX LogD: 5.01 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.63 | Np Likeness Score: -1.24 |
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):