| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3981992
Max Phase: Preclinical
Molecular Formula: C27H33N5O3
Molecular Weight: 475.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1c[nH]c(C(=O)Nc2ccc(C3(CN4CCOCC4)CCOCC3)cc2C2=CCCCC2)n1
Standard InChI: InChI=1S/C27H33N5O3/c28-17-22-18-29-25(30-22)26(33)31-24-7-6-21(16-23(24)20-4-2-1-3-5-20)27(8-12-34-13-9-27)19-32-10-14-35-15-11-32/h4,6-7,16,18H,1-3,5,8-15,19H2,(H,29,30)(H,31,33)
Standard InChI Key: PTIISTLFPJGFMO-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: 475.59 | Molecular Weight (Monoisotopic): 475.2583 | AlogP: 3.87 | #Rotatable Bonds: 6 |
| Polar Surface Area: 103.27 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.73 | CX Basic pKa: 7.13 | CX LogP: 2.65 | CX LogD: 2.76 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.66 | Np Likeness Score: -0.84 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):