| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986237
Max Phase: Preclinical
Molecular Formula: C22H24N4O4S
Molecular Weight: 440.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1c[nH]c(C(=O)Nc2ccc(C3(O)CCS(=O)(=O)CC3)cc2C2=CCCCC2)n1
Standard InChI: InChI=1S/C22H24N4O4S/c23-13-17-14-24-20(25-17)21(27)26-19-7-6-16(12-18(19)15-4-2-1-3-5-15)22(28)8-10-31(29,30)11-9-22/h4,6-7,12,14,28H,1-3,5,8-11H2,(H,24,25)(H,26,27)
Standard InChI Key: DICWNZSIZHEUPQ-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: 440.53 | Molecular Weight (Monoisotopic): 440.1518 | AlogP: 2.89 | #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: 1.41 | CX LogD: 1.14 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.67 | Np Likeness Score: -0.74 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):