| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4114693
Max Phase: Preclinical
Molecular Formula: C24H24N4O5
Molecular Weight: 448.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)C1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc(NCCO)cc1C
Standard InChI: InChI=1S/C24H24N4O5/c1-3-32-24(31)20-21(30)19(12-15-13-27-22-17(15)5-4-8-26-22)33-23(20)28-18-7-6-16(11-14(18)2)25-9-10-29/h4-8,11-13,20,25,29H,3,9-10H2,1-2H3,(H,26,27)/b19-12-,28-23-
Standard InChI Key: HIYZTWSPZHDMJU-URYGXRHHSA-N
Associated Targets(Human)
Cell division cycle 7-related protein kinase 1385 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: 448.48 | Molecular Weight (Monoisotopic): 448.1747 | AlogP: 3.13 | #Rotatable Bonds: 7 |
| Polar Surface Area: 125.90 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.02 | CX Basic pKa: 3.91 | CX LogP: 2.88 | CX LogD: 2.87 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.29 | Np Likeness Score: -0.86 |
References
| 1. (2014) Furanone derivative, |
Source
Source(1):