| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4758543
Max Phase: Preclinical
Molecular Formula: C10H8N4O4
Molecular Weight: 248.20
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CN(/N=C/c2ccccc2[N+](=O)[O-])C(=O)N1
Standard InChI: InChI=1S/C10H8N4O4/c15-9-6-13(10(16)12-9)11-5-7-3-1-2-4-8(7)14(17)18/h1-5H,6H2,(H,12,15,16)/b11-5+
Standard InChI Key: FULJCJZKZXOFQZ-VZUCSPMQSA-N
Associated Targets(Human)
Protein cereblon 139 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: 248.20 | Molecular Weight (Monoisotopic): 248.0546 | AlogP: 0.48 | #Rotatable Bonds: 3 |
| Polar Surface Area: 104.91 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.23 | CX Basic pKa: | CX LogP: 0.63 | CX LogD: 0.57 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.36 | Np Likeness Score: -1.43 |
References
| 1. Maiwald S,Heim C,Hernandez Alvarez B,Hartmann MD. (2021) Sweet and Blind Spots in E3 Ligase Ligand Space Revealed by a Thermophoresis-Based Assay., 12 (1): [PMID:33488967] [10.1021/acsmedchemlett.0c00440] |
Source
Source(1):