| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3980890
Max Phase: Preclinical
Molecular Formula: C30H38N6O4
Molecular Weight: 546.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C3(N4CCN(CC(=O)O)CC4)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
Standard InChI: InChI=1S/C30H38N6O4/c1-29(2)7-5-21(6-8-29)24-17-22(3-4-25(24)34-28(39)27-32-19-23(18-31)33-27)30(9-15-40-16-10-30)36-13-11-35(12-14-36)20-26(37)38/h3-5,17,19H,6-16,20H2,1-2H3,(H,32,33)(H,34,39)(H,37,38)
Standard InChI Key: YSKUMQMCJFHKJG-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: 546.67 | Molecular Weight (Monoisotopic): 546.2955 | AlogP: 3.84 | #Rotatable Bonds: 7 |
| Polar Surface Area: 134.58 | Molecular Species: ACID | HBA: 7 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.73 | CX Basic pKa: 8.32 | CX LogP: -0.10 | CX LogD: -0.91 |
| Aromatic Rings: 2 | Heavy Atoms: 40 | QED Weighted: 0.48 | Np Likeness Score: -0.39 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):