| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3981521
Max Phase: Preclinical
Molecular Formula: C23H26N4O4S
Molecular Weight: 454.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)C1(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CCOCC1
Standard InChI: InChI=1S/C23H26N4O4S/c1-32(29,30)23(9-11-31-12-10-23)17-7-8-20(19(13-17)16-5-3-2-4-6-16)27-22(28)21-25-15-18(14-24)26-21/h5,7-8,13,15H,2-4,6,9-12H2,1H3,(H,25,26)(H,27,28)
Standard InChI Key: PWXLKXFMJCTNML-UHFFFAOYSA-N
Associated Targets(non-human)
Macrophage colony-stimulating factor 1 receptor 491 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: 454.55 | Molecular Weight (Monoisotopic): 454.1675 | AlogP: 3.54 | #Rotatable Bonds: 5 |
| Polar Surface Area: 124.94 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.80 | CX Basic pKa: 0.62 | CX LogP: 1.74 | CX LogD: 0.90 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.71 | Np Likeness Score: -0.61 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):