| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3974798
Max Phase: Preclinical
Molecular Formula: C28H36N4O3
Molecular Weight: 476.62
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C3(O)CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Standard InChI: InChI=1S/C28H36N4O3/c1-25(2)11-9-18(10-12-25)21-13-19(28(34)16-26(3,4)35-27(5,6)17-28)7-8-22(21)32-24(33)23-30-15-20(14-29)31-23/h7-9,13,15,34H,10-12,16-17H2,1-6H3,(H,30,31)(H,32,33)
Standard InChI Key: AROFBRBNCPFQEB-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: 476.62 | Molecular Weight (Monoisotopic): 476.2787 | AlogP: 5.68 | #Rotatable Bonds: 4 |
| Polar Surface Area: 111.03 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.44 | CX Basic pKa: | CX LogP: 4.51 | CX LogD: 4.25 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.53 | Np Likeness Score: 0.16 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):