ID: ALA5170116
Chembl Id: CHEMBL5170116
Cas Number: 1343990-82-8
PubChem CID: 57780677
Max Phase: Preclinical
Molecular Formula: C6H8N4
Molecular Weight: 136.16
Associated Items:
Canonical SMILES: CNC(=N)c1ncccn1
Standard InChI: InChI=1S/C6H8N4/c1-8-5(7)6-9-3-2-4-10-6/h2-4H,1H3,(H2,7,8)
Standard InChI Key: GXUPAQKJNPTPOU-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 |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 136.16 | Molecular Weight (Monoisotopic): 136.0749 | AlogP: 0.02 | #Rotatable Bonds: 1 |
| Polar Surface Area: 61.66 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 6.33 | CX LogP: 0.09 | CX LogD: 0.06 |
| Aromatic Rings: 1 | Heavy Atoms: 10 | QED Weighted: 0.42 | Np Likeness Score: -0.75 |
| 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(1):
