| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3639596
Max Phase: Preclinical
Molecular Formula: C26H35N5OS
Molecular Weight: 465.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CSCCNCC(C)(C)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1
Standard InChI: InChI=1S/C26H35N5OS/c1-25(2)10-8-18(9-11-25)21-14-19(26(3,4)17-28-12-13-33-5)6-7-22(21)31-24(32)23-29-16-20(15-27)30-23/h6-8,14,16,28H,9-13,17H2,1-5H3,(H,29,30)(H,31,32)
Standard InChI Key: SCHJBAIWWCHNIF-UHFFFAOYSA-N
Associated Targets(Human)
Macrophage colony stimulating factor receptor 5179 Activities
Associated Targets(non-human)
Macrophage colony-stimulating factor 1 receptor 491 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 465.67 | Molecular Weight (Monoisotopic): 465.2562 | AlogP: 5.36 | #Rotatable Bonds: 9 |
| Polar Surface Area: 93.60 | Molecular Species: BASE | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.44 | CX Basic pKa: 9.81 | CX LogP: 3.31 | CX LogD: 2.76 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.43 | Np Likeness Score: -0.62 |
References
| 1. (2014) Inhibitors of C-FMS kinase, |
| 2. (2015) Inhibitors of c-fms kinase, |
| 3. (2016) Inhibitors of c-fms kinase, |
Source
Source(2):