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ID: ALA3199749
Max Phase: Preclinical
Molecular Formula: C15H25N3O
Molecular Weight: 263.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCc1[nH]nc2c1/C(=N/OCC)CC(C)(C)C2
Standard InChI: InChI=1S/C15H25N3O/c1-5-7-8-11-14-12(17-16-11)9-15(3,4)10-13(14)18-19-6-2/h5-10H2,1-4H3,(H,16,17)/b18-13+
Standard InChI Key: RUAGZIRSRAUNQH-QGOAFFKASA-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: 263.38 | Molecular Weight (Monoisotopic): 263.1998 | AlogP: 3.47 | #Rotatable Bonds: 5 |
| Polar Surface Area: 50.27 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.82 | CX Basic pKa: 3.30 | CX LogP: 3.40 | CX LogD: 3.40 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.83 | Np Likeness Score: -0.44 |
References
| 1. PubChem BioAssay data set, |
