| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3670788
Max Phase: Preclinical
Molecular Formula: C25H23N3O5
Molecular Weight: 445.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)C1=C(N2CCc3ccc(OC)cc3C2)O/C(=C\c2c[nH]c3ncccc23)C1=O
Standard InChI: InChI=1S/C25H23N3O5/c1-3-32-25(30)21-22(29)20(12-16-13-27-23-19(16)5-4-9-26-23)33-24(21)28-10-8-15-6-7-18(31-2)11-17(15)14-28/h4-7,9,11-13H,3,8,10,14H2,1-2H3,(H,26,27)/b20-12-
Standard InChI Key: OUGAGADONJPCAI-NDENLUEZSA-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: 445.48 | Molecular Weight (Monoisotopic): 445.1638 | AlogP: 3.34 | #Rotatable Bonds: 5 |
| Polar Surface Area: 93.75 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.25 | CX LogP: 3.85 | CX LogD: 3.85 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.37 | Np Likeness Score: -0.58 |
References
| 1. (2014) Furanone derivative, |
Source
Source(1):