| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4114785
Max Phase: Preclinical
Molecular Formula: C19H14FN3O2
Molecular Weight: 335.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(F)ccc1/N=C1/CC(=O)/C(=C/c2c[nH]c3ncccc23)O1
Standard InChI: InChI=1S/C19H14FN3O2/c1-11-7-13(20)4-5-15(11)23-18-9-16(24)17(25-18)8-12-10-22-19-14(12)3-2-6-21-19/h2-8,10H,9H2,1H3,(H,21,22)/b17-8-,23-18-
Standard InChI Key: CIUXINGXNDQWMS-QJPGSKMASA-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: 335.34 | Molecular Weight (Monoisotopic): 335.1070 | AlogP: 4.07 | #Rotatable Bonds: 2 |
| Polar Surface Area: 67.34 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.38 | CX Basic pKa: 3.25 | CX LogP: 4.01 | CX LogD: 3.96 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.72 | Np Likeness Score: -1.11 |
References
| 1. (2014) Furanone derivative, |
Source
Source(1):