| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3643701
Max Phase: Preclinical
Molecular Formula: C22H24N4O3
Molecular Weight: 392.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)OCCCO1
Standard InChI: InChI=1S/C22H24N4O3/c1-22(28-10-5-11-29-22)16-8-9-19(18(12-16)15-6-3-2-4-7-15)26-21(27)20-24-14-17(13-23)25-20/h6,8-9,12,14H,2-5,7,10-11H2,1H3,(H,24,25)(H,26,27)
Standard InChI Key: VAJNHEUOIQZVIF-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: 392.46 | Molecular Weight (Monoisotopic): 392.1848 | AlogP: 4.10 | #Rotatable Bonds: 4 |
| Polar Surface Area: 100.03 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.80 | CX Basic pKa: 0.62 | CX LogP: 3.24 | CX LogD: 2.40 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.82 | Np Likeness Score: -0.40 |
References
| 1. (2014) Inhibitors of C-FMS kinase, |
| 2. (2016) Inhibitors of c-fms kinase, |
Source
Source(2):