| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3982733
Max Phase: Preclinical
Molecular Formula: C29H37N5O3
Molecular Weight: 503.65
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc([C@]3(O)CC[C@@H](N4CCOCC4)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
Standard InChI: InChI=1S/C29H37N5O3/c1-28(2)9-5-20(6-10-28)24-17-21(3-4-25(24)33-27(35)26-31-19-22(18-30)32-26)29(36)11-7-23(8-12-29)34-13-15-37-16-14-34/h3-5,17,19,23,36H,6-16H2,1-2H3,(H,31,32)(H,33,35)/t23-,29+
Standard InChI Key: CYBAEQNTNUTZOY-SIDLAZDFSA-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: 503.65 | Molecular Weight (Monoisotopic): 503.2896 | AlogP: 4.59 | #Rotatable Bonds: 5 |
| Polar Surface Area: 114.27 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.22 | CX Basic pKa: 7.84 | CX LogP: 3.30 | CX LogD: 3.36 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.55 | Np Likeness Score: -0.26 |
References
| 1. (2016) Inhibitors of c-fms kinase, |
Source
Source(1):