| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4862776
Max Phase: Preclinical
Molecular Formula: C25H19N3O3
Molecular Weight: 409.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nnc(-c2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)c3ccccc34)cc2)o1
Standard InChI: InChI=1S/C25H19N3O3/c1-13-27-28-25(31-13)15-11-9-14(10-12-15)20-21-18(7-4-8-19(21)29)26-23-16-5-2-3-6-17(16)24(30)22(20)23/h2-3,5-6,9-12,20,26H,4,7-8H2,1H3
Standard InChI Key: PARMOTWQBREHKY-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: 409.45 | Molecular Weight (Monoisotopic): 409.1426 | AlogP: 4.35 | #Rotatable Bonds: 2 |
| Polar Surface Area: 85.09 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.04 | CX LogD: 2.04 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.68 | Np Likeness Score: -0.91 |
References
| 1. (2020) Inhibitors of GPR174 and Uses Thereof, |
| 2. (2020) Methods and Compositions for Treating Cancer, |
Source
Source(1):