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ID: ALA3214028
Max Phase: Preclinical
Molecular Formula: C15H15NO2
Molecular Weight: 241.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1ccccc1/C=N/CC(O)c1ccccc1
Standard InChI: InChI=1S/C15H15NO2/c17-14-9-5-4-8-13(14)10-16-11-15(18)12-6-2-1-3-7-12/h1-10,15,17-18H,11H2/b16-10+
Standard InChI Key: ZBCOAVKWIKRCFX-MHWRWJLKSA-N
Associated Targets(Human)
GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 21853 Activities
Associated Targets(non-human)
4'-phosphopantetheinyl transferase ffp 24982 Activities
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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: 241.29 | Molecular Weight (Monoisotopic): 241.1103 | AlogP: 2.54 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.82 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.88 | CX Basic pKa: 5.55 | CX LogP: 2.71 | CX LogD: 2.69 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.81 | Np Likeness Score: -0.21 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):