| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3715433
Max Phase: Preclinical
Molecular Formula: C31H27ClN4O5S
Molecular Weight: 603.10
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
Standard InChI: InChI=1S/C31H27ClN4O5S/c1-42(39,40)35-31(38)27(17-21-7-14-26(15-8-21)41-20-22-5-3-2-4-6-22)34-30(37)28-19-36-18-24(11-16-29(36)33-28)23-9-12-25(32)13-10-23/h2-16,18-19,27H,17,20H2,1H3,(H,34,37)(H,35,38)
Standard InChI Key: MWESQRARTGLRGI-UHFFFAOYSA-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: 603.10 | Molecular Weight (Monoisotopic): 602.1391 | AlogP: 4.65 | #Rotatable Bonds: 10 |
| Polar Surface Area: 118.87 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.97 | CX Basic pKa: 3.18 | CX LogP: 4.03 | CX LogD: 3.48 |
| Aromatic Rings: 5 | Heavy Atoms: 42 | QED Weighted: 0.24 | Np Likeness Score: -1.19 |
References
| 1. (2010) Regulating agent of GPR34 receptor function, |
Source
Source(1):