| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3963729
Max Phase: Preclinical
Molecular Formula: C28H32N4O3
Molecular Weight: 472.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC=C(c2cc([C@@]3(O)C[C@]4(C)C=C[C@](C)(C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
Standard InChI: InChI=1S/C28H32N4O3/c1-25(2)9-7-18(8-10-25)21-13-19(28(34)16-26(3)11-12-27(4,17-28)35-26)5-6-22(21)32-24(33)23-30-15-20(14-29)31-23/h5-7,11-13,15,34H,8-10,16-17H2,1-4H3,(H,30,31)(H,32,33)/t26-,27+,28+
Standard InChI Key: XNSXNDURWCBTFS-KUMHGWDASA-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: 472.59 | Molecular Weight (Monoisotopic): 472.2474 | AlogP: 5.21 | #Rotatable Bonds: 4 |
| Polar Surface Area: 111.03 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 5.80 | CX Basic pKa: 0.62 | CX LogP: 3.69 | CX LogD: 2.85 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.53 | Np Likeness Score: 0.40 |
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):