| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986577
Max Phase: Preclinical
Molecular Formula: C28H34N4O4
Molecular Weight: 490.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc([C@@H]3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
Standard InChI: InChI=1S/C28H34N4O4/c1-26(2)9-7-16(8-10-26)20-11-17(18-12-27(3)22(33)23(34)28(4,13-18)36-27)5-6-21(20)32-25(35)24-30-15-19(14-29)31-24/h5-7,11,15,18,22-23,33-34H,8-10,12-13H2,1-4H3,(H,30,31)(H,32,35)/t18-,22+,23-,27-,28+
Standard InChI Key: BFRMIBAIXRFZSJ-RBXAJKSRSA-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: 490.60 | Molecular Weight (Monoisotopic): 490.2580 | AlogP: 4.27 | #Rotatable Bonds: 4 |
| Polar Surface Area: 131.26 | Molecular Species: ACID | 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: 0.62 | CX LogP: 3.21 | CX LogD: 2.36 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.51 | Np Likeness Score: 0.45 |
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):