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Methyl 2-[(5-cyano-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetate
ID: ALA1578243
Max Phase: Preclinical
Molecular Formula: C15H18N2O4
Molecular Weight: 290.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2
Standard InChI: InChI=1S/C15H18N2O4/c1-9-12-7-21-15(2,3)5-10(12)11(6-16)14(17-9)20-8-13(18)19-4/h5,7-8H2,1-4H3
Standard InChI Key: DHZXKPDJCLOGAU-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 290.32 | Molecular Weight (Monoisotopic): 290.1267 | AlogP: 1.66 | #Rotatable Bonds: 3 |
| Polar Surface Area: 81.44 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.28 | CX LogP: 1.42 | CX LogD: 1.42 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.79 | Np Likeness Score: -1.14 |
References
| 1. PubChem BioAssay data set, |
