| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3971362
Max Phase: Preclinical
Molecular Formula: C30H40N6O
Molecular Weight: 500.69
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(C2CCC(c3ccc(NC(=O)c4nc(C#N)c[nH]4)c(C4=CCC(C)(C)CC4)c3)CC2)CC1
Standard InChI: InChI=1S/C30H40N6O/c1-30(2)12-10-22(11-13-30)26-18-23(6-9-27(26)34-29(37)28-32-20-24(19-31)33-28)21-4-7-25(8-5-21)36-16-14-35(3)15-17-36/h6,9-10,18,20-21,25H,4-5,7-8,11-17H2,1-3H3,(H,32,33)(H,34,37)
Standard InChI Key: AZBUQRFRZCNQEW-UHFFFAOYSA-N
Associated Targets(non-human)
Macrophage colony-stimulating factor 1 receptor 491 Activities
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: 500.69 | Molecular Weight (Monoisotopic): 500.3264 | AlogP: 5.40 | #Rotatable Bonds: 5 |
| Polar Surface Area: 88.05 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 7.42 | CX Basic pKa: 8.96 | CX LogP: 3.68 | CX LogD: 3.46 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.57 | Np Likeness Score: -0.40 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):