| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3660801
Max Phase: Preclinical
Molecular Formula: C27H35N5O
Molecular Weight: 445.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C(C)(C)N3CCCCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
Standard InChI: InChI=1S/C27H35N5O/c1-26(2)12-10-19(11-13-26)22-16-20(27(3,4)32-14-6-5-7-15-32)8-9-23(22)31-25(33)24-29-18-21(17-28)30-24/h8-10,16,18H,5-7,11-15H2,1-4H3,(H,29,30)(H,31,33)
Standard InChI Key: MGWBBOCKTHEAME-UHFFFAOYSA-N
Associated Targets(Human)
Macrophage colony stimulating factor receptor 5179 Activities
Associated Targets(non-human)
Macrophage colony-stimulating factor 1 receptor 491 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 445.61 | Molecular Weight (Monoisotopic): 445.2842 | AlogP: 5.85 | #Rotatable Bonds: 5 |
| Polar Surface Area: 84.81 | Molecular Species: ZWITTERION | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 5.79 | CX Basic pKa: 9.26 | CX LogP: 2.85 | CX LogD: 2.33 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.60 | Np Likeness Score: -0.29 |
References
| 1. (2014) Inhibitors of C-FMS kinase, |
| 2. (2016) Inhibitors of c-fms kinase, |
Source
Source(2):