| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5201513
Max Phase: Preclinical
Molecular Formula: C8H10N2O2
Molecular Weight: 166.18
Associated Items:
Representations
Canonical SMILES: Cn1c(=O)cc(C2CC2)[nH]c1=O
Standard InChI: InChI=1S/C8H10N2O2/c1-10-7(11)4-6(5-2-3-5)9-8(10)12/h4-5H,2-3H2,1H3,(H,9,12)
Standard InChI Key: SJCKLNPJUZKFGN-UHFFFAOYSA-N
Associated Targets(Human)
YTHDF2 Tbio YTH domain-containing family protein 2 (23 Activities)
YTHDC1 Tbio YTH domain-containing protein 1 (24 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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 |
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Properties
| Molecular Weight: 166.18 | Molecular Weight (Monoisotopic): 166.0742 | AlogP: -0.05 | #Rotatable Bonds: 1 |
| 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: 10.94 | CX Basic pKa: | CX LogP: -0.01 | CX LogD: -0.01 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.64 | Np Likeness Score: -0.55 |
References
| 1. Nai F, Nachawati R, Zálešák F, Wang X, Li Y, Caflisch A.. (2022) Fragment Ligands of the m6A-RNA Reader YTHDF2., 13 (9.0): [PMID:36110386] [10.1021/acsmedchemlett.2c00303] |
Source
Source(1):