| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3670786
Max Phase: Preclinical
Molecular Formula: C19H13N5O2
Molecular Weight: 343.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1C/C(=N/c2ccc3[nH]ncc3c2)O/C1=C\c1c[nH]c2ncccc12
Standard InChI: InChI=1S/C19H13N5O2/c25-16-8-18(23-13-3-4-15-12(6-13)10-22-24-15)26-17(16)7-11-9-21-19-14(11)2-1-5-20-19/h1-7,9-10H,8H2,(H,20,21)(H,22,24)/b17-7-,23-18-
Standard InChI Key: PFVCMUWPURHCEI-FNLWGAGSSA-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: 343.35 | Molecular Weight (Monoisotopic): 343.1069 | AlogP: 3.50 | #Rotatable Bonds: 2 |
| Polar Surface Area: 96.02 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.29 | CX Basic pKa: 3.26 | CX LogP: 2.67 | CX LogD: 2.62 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.54 | Np Likeness Score: -1.14 |
References
| 1. (2014) Furanone derivative, |
Source
Source(1):