| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985982
Max Phase: Preclinical
Molecular Formula: C24H28N4O4S
Molecular Weight: 468.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C3(O)CCS(=O)(=O)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Standard InChI: InChI=1S/C24H28N4O4S/c1-23(2)7-5-16(6-8-23)19-13-17(24(30)9-11-33(31,32)12-10-24)3-4-20(19)28-22(29)21-26-15-18(14-25)27-21/h3-5,13,15,30H,6-12H2,1-2H3,(H,26,27)(H,28,29)
Standard InChI Key: CFBZXKHPVPVDBF-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: 468.58 | Molecular Weight (Monoisotopic): 468.1831 | AlogP: 3.52 | #Rotatable Bonds: 4 |
| Polar Surface Area: 135.94 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.44 | CX Basic pKa: | CX LogP: 2.00 | CX LogD: 1.73 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.63 | Np Likeness Score: -0.39 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):