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ID: ALA1469686
Max Phase: Preclinical
Molecular Formula: C23H24N2O4
Molecular Weight: 392.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccccc1OCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21
Standard InChI: InChI=1S/C23H24N2O4/c1-17-6-2-5-9-21(17)29-15-12-25-16-19(18-7-3-4-8-20(18)25)22(26)23(27)24-10-13-28-14-11-24/h2-9,16H,10-15H2,1H3
Standard InChI Key: DPZVXZZNYVJLFN-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: 392.46 | Molecular Weight (Monoisotopic): 392.1736 | AlogP: 3.07 | #Rotatable Bonds: 6 |
| Polar Surface Area: 60.77 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.39 | CX LogD: 3.39 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.48 | Np Likeness Score: -1.57 |
References
| 1. PubChem BioAssay data set, |
