| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4742704
Max Phase: Preclinical
Molecular Formula: C26H24N4O3
Molecular Weight: 440.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: [3H]c1cccc(CCc2ccc3c(c2)CCn2c-3cc(OCCOc3cnccn3)nc2=O)c1
Standard InChI: InChI=1S/C26H24N4O3/c31-26-29-24(32-14-15-33-25-18-27-11-12-28-25)17-23-22-9-8-20(16-21(22)10-13-30(23)26)7-6-19-4-2-1-3-5-19/h1-5,8-9,11-12,16-18H,6-7,10,13-15H2/i2T
Standard InChI Key: OLXMMTZJVHBCCE-FUPOQFPWSA-N
Associated Targets(Human)
G-protein coupled receptor 84 1284 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: 440.50 | Molecular Weight (Monoisotopic): 440.1848 | AlogP: 3.50 | #Rotatable Bonds: 8 |
| Polar Surface Area: 79.13 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.34 | CX LogP: 3.53 | CX LogD: 3.53 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.39 | Np Likeness Score: -0.61 |
References
| 1. Chen LH,Zhang Q,Xie X,Nan FJ. (2020) Modulation of the G-Protein-Coupled Receptor 84 (GPR84) by Agonists and Antagonists., 63 (24.0): [PMID:33267584] [10.1021/acs.jmedchem.0c01378] |
Source
Source(1):