| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3968152
Max Phase: Preclinical
Molecular Formula: C25H29N5O4
Molecular Weight: 463.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@]12CC(c3ccc(NC(=O)c4ncc(C#N)[nH]4)c(C4=CCCCC4)n3)C[C@](C)(O1)[C@H](O)[C@@H]2O
Standard InChI: InChI=1S/C25H29N5O4/c1-24-10-15(11-25(2,34-24)21(32)20(24)31)17-8-9-18(19(29-17)14-6-4-3-5-7-14)30-23(33)22-27-13-16(12-26)28-22/h6,8-9,13,15,20-21,31-32H,3-5,7,10-11H2,1-2H3,(H,27,28)(H,30,33)/t15?,20-,21+,24+,25-
Standard InChI Key: FFHAUJKTAWRKHY-QNELOFPJSA-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: 463.54 | Molecular Weight (Monoisotopic): 463.2220 | AlogP: 3.03 | #Rotatable Bonds: 4 |
| Polar Surface Area: 144.15 | Molecular Species: ACID | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.81 | CX Basic pKa: 4.19 | CX LogP: 1.80 | CX LogD: 1.08 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.55 | Np Likeness Score: 0.13 |
References
| 1. (2013) 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent, |
Source
Source(1):