| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4797970
Max Phase: Preclinical
Molecular Formula: C5H6N2O2
Molecular Weight: 126.11
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cn1ccc(=O)[nH]c1=O
Standard InChI: InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
Standard InChI Key: XBCXJKGHPABGSD-UHFFFAOYSA-N
Associated Targets(Human)
Protein cereblon 139 Activities
Molecule Features
| Natural Product: Yes | 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: 126.11 | Molecular Weight (Monoisotopic): 126.0429 | AlogP: -0.93 | #Rotatable Bonds: 0 |
| Polar Surface Area: 54.86 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.77 | CX Basic pKa: | CX LogP: -0.63 | CX LogD: -0.63 |
| Aromatic Rings: 1 | Heavy Atoms: 9 | QED Weighted: 0.49 | Np Likeness Score: -0.46 |
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):