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ID: ALA1609883
Max Phase: Preclinical
Molecular Formula: C16H23N3O5
Molecular Weight: 337.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1c(N)c(C(=O)COC(=O)CCC2CCCC2)c(=O)n(C)c1=O
Standard InChI: InChI=1S/C16H23N3O5/c1-18-14(17)13(15(22)19(2)16(18)23)11(20)9-24-12(21)8-7-10-5-3-4-6-10/h10H,3-9,17H2,1-2H3
Standard InChI Key: XTVRVTFZHKDYNQ-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: 337.38 | Molecular Weight (Monoisotopic): 337.1638 | AlogP: 0.36 | #Rotatable Bonds: 6 |
| Polar Surface Area: 113.39 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.93 | CX LogD: 0.93 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.59 | Np Likeness Score: -0.80 |
References
| 1. PubChem BioAssay data set, |
