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ID: ALA3211518
Max Phase: Preclinical
Molecular Formula: C19H25N3O3
Molecular Weight: 343.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(/C=N\NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)o1
Standard InChI: InChI=1S/C19H25N3O3/c1-12-2-3-16(25-12)10-21-22-17(23)11-20-18(24)19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,10,13-15H,4-9,11H2,1H3,(H,20,24)(H,22,23)/b21-10-
Standard InChI Key: AJWBPGAMEDVVFV-FBHDLOMBSA-N
Associated Targets(non-human)
4'-phosphopantetheinyl transferase ffp 24982 Activities
Ferritin light chain 43324 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: 343.43 | Molecular Weight (Monoisotopic): 343.1896 | AlogP: 2.37 | #Rotatable Bonds: 5 |
| Polar Surface Area: 83.70 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.58 | CX Basic pKa: 0.30 | CX LogP: 1.87 | CX LogD: 1.87 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.64 | Np Likeness Score: -1.57 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):