| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3660802
Max Phase: Preclinical
Molecular Formula: C24H30N6O
Molecular Weight: 418.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(CN3CCNCC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Standard InChI: InChI=1S/C24H30N6O/c1-24(2)7-5-18(6-8-24)20-13-17(16-30-11-9-26-10-12-30)3-4-21(20)29-23(31)22-27-15-19(14-25)28-22/h3-5,13,15,26H,6-12,16H2,1-2H3,(H,27,28)(H,29,31)
Standard InChI Key: FCEGNRXMBLQREV-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: 418.55 | Molecular Weight (Monoisotopic): 418.2481 | AlogP: 3.53 | #Rotatable Bonds: 5 |
| Polar Surface Area: 96.84 | Molecular Species: BASE | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.43 | CX Basic pKa: 9.23 | CX LogP: 1.55 | CX LogD: 1.32 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.69 | Np Likeness Score: -0.62 |
References
| 1. (2014) Inhibitors of C-FMS kinase, |
| 2. (2015) Inhibitors of c-fms kinase, |
Source
Source(1):