RESOMELAGON
ID: ALA5315047
Max Phase: Phase
Molecular Formula: C14H14N6O2
Molecular Weight: 298.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N=C(N)N/N=C/C=C/c1cccn1-c1ccccc1[N+](=O)[O-]
Standard InChI: InChI=1S/C14H14N6O2/c15-14(16)18-17-9-3-5-11-6-4-10-19(11)12-7-1-2-8-13(12)20(21)22/h1-10H,(H4,15,16,18)/b5-3+,17-9+
Standard InChI Key: ZSDGHWLLLGYAJV-AHEHSYJASA-N
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: 298.31 | Molecular Weight (Monoisotopic): 298.1178 | AlogP: 1.87 | #Rotatable Bonds: 5 |
| Polar Surface Area: 122.33 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.09 | CX LogP: 2.08 | CX LogD: 1.91 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.34 | Np Likeness Score: -1.47 |
References
| 1. International Nonproprietary Names for Pharmaceutical Substances (INN), |
Source
Source(1):