| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3966465
Max Phase: Preclinical
Molecular Formula: C25H27N5O3S
Molecular Weight: 477.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C3(C#N)CCS(=O)(=O)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Standard InChI: InChI=1S/C25H27N5O3S/c1-24(2)7-5-17(6-8-24)20-13-18(25(16-27)9-11-34(32,33)12-10-25)3-4-21(20)30-23(31)22-28-15-19(14-26)29-22/h3-5,13,15H,6-12H2,1-2H3,(H,28,29)(H,30,31)
Standard InChI Key: JJMFFCQMCAHEAQ-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: 477.59 | Molecular Weight (Monoisotopic): 477.1835 | AlogP: 4.10 | #Rotatable Bonds: 4 |
| Polar Surface Area: 139.50 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.44 | CX Basic pKa: | CX LogP: 2.85 | CX LogD: 2.58 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.68 | Np Likeness Score: -0.56 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):