| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3660798
Max Phase: Preclinical
Molecular Formula: C27H35N5O3
Molecular Weight: 477.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc(C(C)(C)CN3C[C@@H](O)[C@@H](O)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
Standard InChI: InChI=1S/C27H35N5O3/c1-26(2)9-7-17(8-10-26)20-11-18(27(3,4)16-32-14-22(33)23(34)15-32)5-6-21(20)31-25(35)24-29-13-19(12-28)30-24/h5-7,11,13,22-23,33-34H,8-10,14-16H2,1-4H3,(H,29,30)(H,31,35)/t22-,23+
Standard InChI Key: GAFYDZYQJNRLRB-ZRZAMGCNSA-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: 477.61 | Molecular Weight (Monoisotopic): 477.2740 | AlogP: 3.44 | #Rotatable Bonds: 6 |
| Polar Surface Area: 125.27 | Molecular Species: ZWITTERION | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.80 | CX Basic pKa: 8.50 | CX LogP: 0.81 | CX LogD: 1.10 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.51 | Np Likeness Score: -0.15 |
References
| 1. (2014) Inhibitors of C-FMS kinase, |
Source
Source(1):