| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4453912
Max Phase: Preclinical
Molecular Formula: C12H11N5O3
Molecular Weight: 273.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1ccc2c(=O)n(C3CCC(=O)NC3=O)nnc2c1
Standard InChI: InChI=1S/C12H11N5O3/c13-6-1-2-7-8(5-6)15-16-17(12(7)20)9-3-4-10(18)14-11(9)19/h1-2,5,9H,3-4,13H2,(H,14,18,19)
Standard InChI Key: SPBMEUGIUHPHER-UHFFFAOYSA-N
Associated Targets(Human)
Cereblon/Ikaros 139 Activities
Cereblon/Aiolos 164 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 273.25 | Molecular Weight (Monoisotopic): 273.0862 | AlogP: -0.65 | #Rotatable Bonds: 1 |
| Polar Surface Area: 119.97 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.59 | CX Basic pKa: 2.06 | CX LogP: 0.28 | CX LogD: 0.28 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.53 | Np Likeness Score: -0.88 |
References
| 1. Kim SA, Go A, Jo SH, Park SJ, Jeon YU, Kim JE, Lee HK, Park CH, Lee CO, Park SG, Kim P, Park BC, Cho SY, Kim S, Ha JD, Kim JH, Hwang JY.. (2019) A novel cereblon modulator for targeted protein degradation., 166 [PMID:30684871] [10.1016/j.ejmech.2019.01.023] |
Source
Source(1):