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ID: ALA3210538
Max Phase: Preclinical
Molecular Formula: C18H19N3O2
Molecular Weight: 309.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1
Standard InChI: InChI=1S/C18H19N3O2/c1-14(12-15-8-4-2-5-9-15)20-21-17(22)13-19-18(23)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,23)(H,21,22)/b20-14+
Standard InChI Key: NUENQCJWABJMEN-XSFVSMFZSA-N
Associated Targets(Human)
GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 21853 Activities
DNA polymerase iota 116820 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
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Associated Targets(non-human)
Luciferin 4-monooxygenase 66902 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: 309.37 | Molecular Weight (Monoisotopic): 309.1477 | AlogP: 2.15 | #Rotatable Bonds: 6 |
| Polar Surface Area: 70.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.73 | CX Basic pKa: 1.66 | CX LogP: 2.11 | CX LogD: 2.11 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.63 | Np Likeness Score: -1.28 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):