ID: ALA5220475
Chembl Id: CHEMBL5220475
PubChem CID: 168298147
Max Phase: Preclinical
Molecular Formula: C14H14N4O4
Molecular Weight: 302.29
Associated Items:
Canonical SMILES: O=C(O)CNC(=O)c1cnc(NCc2ccccc2)nc1O
Standard InChI: InChI=1S/C14H14N4O4/c19-11(20)8-15-12(21)10-7-17-14(18-13(10)22)16-6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,15,21)(H,19,20)(H2,16,17,18,22)
Standard InChI Key: NQMYTFWVTKAQJA-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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: 302.29 | Molecular Weight (Monoisotopic): 302.1015 | AlogP: 0.61 | #Rotatable Bonds: 6 |
| Polar Surface Area: 124.44 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: ┄ | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 2.67 | CX Basic pKa: 1.89 | CX LogP: 1.03 | CX LogD: -2.09 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.62 | Np Likeness Score: -1.26 |
| 1. Zhi S, Cai J, Wang H, Tan C, Yang Z, Dai L, Zhang T, Wang H, Li D.. (2022) Synthesis and biological evaluation of (4-hydroxy-2-(substitued sulfonamido)pyrimidine-5-carbonyl)glycines as oral erythropoietin secretagogues., 76 [PMID:36174835] [10.1016/j.bmcl.2022.129007] |
Source(1):
