ID: ALA5180402
Chembl Id: CHEMBL5180402
PubChem CID: 133630083
Max Phase: Preclinical
Molecular Formula: C6H9N3O2
Molecular Weight: 155.16
Associated Items:
Canonical SMILES: CCc1[nH]c(=O)[nH]c(=O)c1N
Standard InChI: InChI=1S/C6H9N3O2/c1-2-3-4(7)5(10)9-6(11)8-3/h2,7H2,1H3,(H2,8,9,10,11)
Standard InChI Key: NHAGBFNQWVFUGY-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 155.16 | Molecular Weight (Monoisotopic): 155.0695 | AlogP: -0.79 | #Rotatable Bonds: 1 |
| Polar Surface Area: 91.74 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 8.85 | CX Basic pKa: ┄ | CX LogP: -1.01 | CX LogD: -1.03 |
| Aromatic Rings: 1 | Heavy Atoms: 11 | QED Weighted: 0.50 | Np Likeness Score: -0.59 |
| 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] |
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