| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4867113
Max Phase: Preclinical
Molecular Formula: C17H23FN4O3
Molecular Weight: 350.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1
Standard InChI: InChI=1S/C17H23FN4O3/c1-13(23)19-7-9-21(10-8-19)16-12-15(20-5-3-2-4-6-20)14(18)11-17(16)22(24)25/h11-12H,2-10H2,1H3
Standard InChI Key: LHRUPLYFOKRTAO-UHFFFAOYSA-N
Associated Targets(Human)
Probable G-protein coupled receptor 174 370 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: 350.39 | Molecular Weight (Monoisotopic): 350.1754 | AlogP: 2.39 | #Rotatable Bonds: 3 |
| Polar Surface Area: 69.93 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.20 | CX LogD: 2.20 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.62 | Np Likeness Score: -1.62 |
References
| 1. (2020) Inhibitors of GPR174 and Uses Thereof, |
| 2. (2020) Methods and Compositions for Treating Cancer, |
Source
Source(1):