ID: ALA5170722
Chembl Id: CHEMBL5170722
PubChem CID: 130643594
Max Phase: Preclinical
Molecular Formula: C9H11N5
Molecular Weight: 189.22
Associated Items:
Canonical SMILES: CNc1ncnc2c1ncn2C1CC1
Standard InChI: InChI=1S/C9H11N5/c1-10-8-7-9(12-4-11-8)14(5-13-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,10,11,12)
Standard InChI Key: GSKXLJNKAAXSOE-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: 189.22 | Molecular Weight (Monoisotopic): 189.1014 | AlogP: 1.20 | #Rotatable Bonds: 2 |
| Polar Surface Area: 55.63 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 3.62 | CX LogP: 0.46 | CX LogD: 0.46 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.77 | Np Likeness Score: -0.54 |
| 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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