| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3966302
Max Phase: Preclinical
Molecular Formula: C26H30F3N5O2
Molecular Weight: 501.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C3(O)CCN(CC(F)(F)F)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Standard InChI: InChI=1S/C26H30F3N5O2/c1-24(2)7-5-17(6-8-24)20-13-18(25(36)9-11-34(12-10-25)16-26(27,28)29)3-4-21(20)33-23(35)22-31-15-19(14-30)32-22/h3-5,13,15,36H,6-12,16H2,1-2H3,(H,31,32)(H,33,35)
Standard InChI Key: DTWARAJRJYFWLG-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: 501.55 | Molecular Weight (Monoisotopic): 501.2352 | AlogP: 4.97 | #Rotatable Bonds: 5 |
| Polar Surface Area: 105.04 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.44 | CX Basic pKa: 2.68 | CX LogP: 4.14 | CX LogD: 3.87 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.54 | Np Likeness Score: -0.56 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):