| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3979814
Max Phase: Preclinical
Molecular Formula: C29H38N6O2
Molecular Weight: 502.66
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(C2(c3ccc(NC(=O)c4ncc(C#N)[nH]4)c(C4=CCC(C)(C)CC4)c3)CCOCC2)CC1
Standard InChI: InChI=1S/C29H38N6O2/c1-28(2)8-6-21(7-9-28)24-18-22(4-5-25(24)33-27(36)26-31-20-23(19-30)32-26)29(10-16-37-17-11-29)35-14-12-34(3)13-15-35/h4-6,18,20H,7-17H2,1-3H3,(H,31,32)(H,33,36)
Standard InChI Key: VKVMJFMNNAMTJR-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: 502.66 | Molecular Weight (Monoisotopic): 502.3056 | AlogP: 4.38 | #Rotatable Bonds: 5 |
| Polar Surface Area: 97.28 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 5.79 | CX Basic pKa: 8.23 | CX LogP: 1.20 | CX LogD: 1.48 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.63 | Np Likeness Score: -0.29 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):