| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1700567
Max Phase: Preclinical
Molecular Formula: C16H32N4O6
Molecular Weight: 376.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)CN1CCOCCOCCN(CC(N)=O)CCOCCOCC1
Standard InChI: InChI=1S/C16H32N4O6/c17-15(21)13-19-1-5-23-9-10-25-7-3-20(14-16(18)22)4-8-26-12-11-24-6-2-19/h1-14H2,(H2,17,21)(H2,18,22)
Standard InChI Key: AXUHNKFJBCTBFC-UHFFFAOYSA-N
Associated Targets(Human)
TRHR Tclin Thyrotropin-releasing hormone receptor (318 Activities)
POLI Tchem DNA polymerase iota (116820 Activities)
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Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 376.45 | Molecular Weight (Monoisotopic): 376.2322 | AlogP: -2.36 | #Rotatable Bonds: 4 |
| Polar Surface Area: 129.58 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.30 | CX LogP: -2.81 | CX LogD: -2.84 |
| Aromatic Rings: 0 | Heavy Atoms: 26 | QED Weighted: 0.56 | Np Likeness Score: -0.91 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):