| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3965172
Max Phase: Preclinical
Molecular Formula: C24H29N5O2
Molecular Weight: 419.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C3(N)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
Standard InChI: InChI=1S/C24H29N5O2/c1-23(2)7-5-16(6-8-23)19-13-17(24(26)9-11-31-12-10-24)3-4-20(19)29-22(30)21-27-15-18(14-25)28-21/h3-5,13,15H,6-12,26H2,1-2H3,(H,27,28)(H,29,30)
Standard InChI Key: GOIKZFAIJSSESM-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: 419.53 | Molecular Weight (Monoisotopic): 419.2321 | AlogP: 4.09 | #Rotatable Bonds: 4 |
| Polar Surface Area: 116.82 | Molecular Species: ZWITTERION | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.80 | CX Basic pKa: 9.65 | CX LogP: 0.02 | CX LogD: -0.48 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.69 | Np Likeness Score: -0.16 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):