| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3660799
Max Phase: Preclinical
Molecular Formula: C27H35N5OS
Molecular Weight: 477.68
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C(C)(C)CN3CCSCC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Standard InChI: InChI=1S/C27H35N5OS/c1-26(2)9-7-19(8-10-26)22-15-20(27(3,4)18-32-11-13-34-14-12-32)5-6-23(22)31-25(33)24-29-17-21(16-28)30-24/h5-7,15,17H,8-14,18H2,1-4H3,(H,29,30)(H,31,33)
Standard InChI Key: TVSXNYPPUKMGJN-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: 477.68 | Molecular Weight (Monoisotopic): 477.2562 | AlogP: 5.45 | #Rotatable Bonds: 6 |
| Polar Surface Area: 84.81 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.40 | CX Basic pKa: 8.49 | CX LogP: 4.14 | CX LogD: 3.98 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.58 | Np Likeness Score: -0.75 |
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):