| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3660800
Max Phase: Preclinical
Molecular Formula: C27H36N6O
Molecular Weight: 460.63
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1)N1C[C@@H](C)N[C@@H](C)C1
Standard InChI: InChI=1S/C27H36N6O/c1-17-15-33(16-18(2)30-17)19(3)21-6-7-24(32-26(34)25-29-14-22(13-28)31-25)23(12-21)20-8-10-27(4,5)11-9-20/h6-8,12,14,17-19,30H,9-11,15-16H2,1-5H3,(H,29,31)(H,32,34)/t17-,18+,19?
Standard InChI Key: QRVDKFYXIGYWDP-DFNIBXOVSA-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: 460.63 | Molecular Weight (Monoisotopic): 460.2951 | AlogP: 4.87 | #Rotatable Bonds: 5 |
| Polar Surface Area: 96.84 | Molecular Species: ZWITTERION | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.84 | CX Basic pKa: 9.44 | CX LogP: 1.85 | CX LogD: 1.33 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.59 | Np Likeness Score: -0.14 |
References
| 1. (2014) Inhibitors of C-FMS kinase, |
| 2. (2016) Inhibitors of c-fms kinase, |
Source
Source(2):