| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5179458
Max Phase: Preclinical
Molecular Formula: C5H7N3O
Molecular Weight: 125.13
Associated Items:
Representations
Canonical SMILES: Cc1nc(=O)c(C)n[nH]1
Standard InChI: InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9)
Standard InChI Key: WZMOVTWDPULYIG-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 |
|---|
Properties
| Molecular Weight: 125.13 | Molecular Weight (Monoisotopic): 125.0589 | AlogP: -0.22 | #Rotatable Bonds: 0 |
| Polar Surface Area: 58.64 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.07 | CX Basic pKa: | CX LogP: -0.85 | CX LogD: -1.74 |
| Aromatic Rings: 1 | Heavy Atoms: 9 | QED Weighted: 0.52 | Np Likeness Score: -1.98 |
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):