| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1496433
Max Phase: Preclinical
Molecular Formula: C14H14N4O5
Molecular Weight: 318.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1cnn(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1
Standard InChI: InChI=1S/C14H14N4O5/c1-3-23-14(20)11-8-15-17(2)12(11)16-13(19)9-4-6-10(7-5-9)18(21)22/h4-8H,3H2,1-2H3,(H,16,19)
Standard InChI Key: OALOHDPNQBFHDE-UHFFFAOYSA-N
Associated Targets(Human)
Muscleblind-like protein 1 34431 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: 318.29 | Molecular Weight (Monoisotopic): 318.0964 | AlogP: 1.76 | #Rotatable Bonds: 5 |
| Polar Surface Area: 116.36 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.07 | CX Basic pKa: 0.89 | CX LogP: 2.53 | CX LogD: 2.53 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.51 | Np Likeness Score: -1.94 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):