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ID: ALA3213227
Max Phase: Preclinical
Molecular Formula: C19H17NO2
Molecular Weight: 291.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(/N=C/c2c(OC)ccc3ccccc23)cc1
Standard InChI: InChI=1S/C19H17NO2/c1-21-16-10-8-15(9-11-16)20-13-18-17-6-4-3-5-14(17)7-12-19(18)22-2/h3-13H,1-2H3/b20-13+
Standard InChI Key: SDFYPIJTLCZAIF-DEDYPNTBSA-N
Associated Targets(Human)
Importin subunit beta-1/Snurportin-1 25097 Activities
DNA polymerase iota 116820 Activities
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Glucagon-like peptide 1 receptor 111429 Activities
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Isocitrate dehydrogenase [NADP] cytoplasmic 40980 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: 291.35 | Molecular Weight (Monoisotopic): 291.1259 | AlogP: 4.61 | #Rotatable Bonds: 4 |
| Polar Surface Area: 30.82 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.19 | CX LogP: 4.52 | CX LogD: 4.52 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.66 | Np Likeness Score: -0.75 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):