| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3643700
Max Phase: Preclinical
Molecular Formula: C21H22N4O3
Molecular Weight: 378.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)OCCO1
Standard InChI: InChI=1S/C21H22N4O3/c1-21(27-9-10-28-21)15-7-8-18(17(11-15)14-5-3-2-4-6-14)25-20(26)19-23-13-16(12-22)24-19/h5,7-8,11,13H,2-4,6,9-10H2,1H3,(H,23,24)(H,25,26)
Standard InChI Key: VIWFELRUSGWYMK-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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 378.43 | Molecular Weight (Monoisotopic): 378.1692 | AlogP: 3.71 | #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: 3.18 | CX LogD: 2.34 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.84 | Np Likeness Score: -0.38 |
References
| 1. (2014) Inhibitors of C-FMS kinase, |
| 2. (2016) Inhibitors of c-fms kinase, |
Source
Source(2):