| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3660796
Max Phase: Preclinical
Molecular Formula: C30H40N6O3
Molecular Weight: 532.69
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)CN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1
Standard InChI: InChI=1S/C30H40N6O3/c1-6-39-26(37)20-35-13-15-36(16-14-35)30(4,5)22-7-8-25(34-28(38)27-32-19-23(18-31)33-27)24(17-22)21-9-11-29(2,3)12-10-21/h7-9,17,19H,6,10-16,20H2,1-5H3,(H,32,33)(H,34,38)
Standard InChI Key: DLFJAVXYNBRXOG-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 |
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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: 532.69 | Molecular Weight (Monoisotopic): 532.3162 | AlogP: 4.54 | #Rotatable Bonds: 8 |
| Polar Surface Area: 114.35 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 5.79 | CX Basic pKa: 7.49 | CX LogP: 2.64 | CX LogD: 2.82 |
| Aromatic Rings: 2 | Heavy Atoms: 39 | QED Weighted: 0.48 | Np Likeness Score: -0.58 |
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):