| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3987062
Max Phase: Preclinical
Molecular Formula: C25H31N5O3
Molecular Weight: 449.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1CC(O)(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCC(C)(C)CC3)n2)C[C@H](C)O1
Standard InChI: InChI=1S/C25H31N5O3/c1-15-11-25(32,12-16(2)33-15)20-6-5-19(29-23(31)22-27-14-18(13-26)28-22)21(30-20)17-7-9-24(3,4)10-8-17/h5-7,14-16,32H,8-12H2,1-4H3,(H,27,28)(H,29,31)/t15-,16+,25?
Standard InChI Key: WIYHPJAGCZJKOL-STPAVAKGSA-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: 449.56 | Molecular Weight (Monoisotopic): 449.2427 | AlogP: 4.30 | #Rotatable Bonds: 4 |
| Polar Surface Area: 123.92 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.44 | CX Basic pKa: 3.44 | CX LogP: 3.51 | CX LogD: 3.24 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.64 | Np Likeness Score: 0.05 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):