| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3670782
Max Phase: Preclinical
Molecular Formula: C25H25N3O6
Molecular Weight: 463.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(OCCO)ccc1/N=C1\O/C(=C\c2c[nH]c3ncccc23)C(=O)C1C(=O)OC(C)C
Standard InChI: InChI=1S/C25H25N3O6/c1-14(2)33-25(31)21-22(30)20(12-16-13-27-23-18(16)5-4-8-26-23)34-24(21)28-19-7-6-17(11-15(19)3)32-10-9-29/h4-8,11-14,21,29H,9-10H2,1-3H3,(H,26,27)/b20-12-,28-24-
Standard InChI Key: VCDRBUPPCUYQED-KHDOJOCFSA-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: 463.49 | Molecular Weight (Monoisotopic): 463.1743 | AlogP: 3.48 | #Rotatable Bonds: 7 |
| Polar Surface Area: 123.10 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.66 | CX Basic pKa: 3.25 | CX LogP: 3.67 | CX LogD: 3.65 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.31 | Np Likeness Score: -0.59 |
References
| 1. (2014) Furanone derivative, |
Source
Source(1):