| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3670781
Max Phase: Preclinical
Molecular Formula: C19H20N4O5
Molecular Weight: 384.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)C1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\N1CCOCC1
Standard InChI: InChI=1S/C19H20N4O5/c1-2-27-19(25)15-16(24)14(28-18(15)22-23-6-8-26-9-7-23)10-12-11-21-17-13(12)4-3-5-20-17/h3-5,10-11,15H,2,6-9H2,1H3,(H,20,21)/b14-10-,22-18-
Standard InChI Key: QLDWWBZKNUMKIN-DDJYZJNBSA-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: 384.39 | Molecular Weight (Monoisotopic): 384.1434 | AlogP: 1.33 | #Rotatable Bonds: 4 |
| Polar Surface Area: 106.11 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.06 | CX Basic pKa: 3.25 | CX LogP: 1.09 | CX LogD: 1.08 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.48 | Np Likeness Score: -0.77 |
References
| 1. (2014) Furanone derivative, |
Source
Source(1):