| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4438175
Max Phase: Preclinical
Molecular Formula: C14H15N3O4
Molecular Weight: 289.29
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCNC(=O)c1c[nH]c2c([N+](=O)[O-])cccc2c1=O
Standard InChI: InChI=1S/C14H15N3O4/c1-2-3-7-15-14(19)10-8-16-12-9(13(10)18)5-4-6-11(12)17(20)21/h4-6,8H,2-3,7H2,1H3,(H,15,19)(H,16,18)
Standard InChI Key: FXFKSDAKATXROB-UHFFFAOYSA-N
Associated Targets(non-human)
Saccharomyces cerevisiae 19171 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 289.29 | Molecular Weight (Monoisotopic): 289.1063 | AlogP: 1.97 | #Rotatable Bonds: 5 |
| Polar Surface Area: 105.10 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.80 | CX Basic pKa: | CX LogP: 2.22 | CX LogD: 2.22 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.50 | Np Likeness Score: -1.11 |
References
| 1. (2018) DNA2 inhibitors for cancer treatment, |
Source
Source(1):