| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3716653
Max Phase: Preclinical
Molecular Formula: C33H29N3O4
Molecular Weight: 531.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(/C=C/c2ccc3nc(C(=O)NC(Cc4ccc(OCc5ccccc5)cc4)C(=O)O)cn3c2)cc1
Standard InChI: InChI=1S/C33H29N3O4/c1-23-7-9-24(10-8-23)11-12-26-15-18-31-34-30(21-36(31)20-26)32(37)35-29(33(38)39)19-25-13-16-28(17-14-25)40-22-27-5-3-2-4-6-27/h2-18,20-21,29H,19,22H2,1H3,(H,35,37)(H,38,39)/b12-11+
Standard InChI Key: UMXNHIJUANIVHH-VAWYXSNFSA-N
Associated Targets(Human)
Probable G-protein coupled receptor 34 197 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 531.61 | Molecular Weight (Monoisotopic): 531.2158 | AlogP: 5.82 | #Rotatable Bonds: 10 |
| Polar Surface Area: 92.93 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 2.90 | CX Basic pKa: 3.80 | CX LogP: 5.65 | CX LogD: 2.93 |
| Aromatic Rings: 5 | Heavy Atoms: 40 | QED Weighted: 0.24 | Np Likeness Score: -0.82 |
References
| 1. (2010) Regulating agent of GPR34 receptor function, |
Source
Source(1):