ID: ALA2203574
Chembl Id: CHEMBL2203574
PubChem CID: 71450360
Max Phase: Preclinical
Molecular Formula: C15H25N
Molecular Weight: 219.37
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: NC12CC3CC(CC(C3)C13CCCCC3)C2
Standard InChI: InChI=1S/C15H25N/c16-15-9-11-6-12(10-15)8-13(7-11)14(15)4-2-1-3-5-14/h11-13H,1-10,16H2
Standard InChI Key: KZSATBXDAFGSHG-UHFFFAOYSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Molecular Weight: 219.37 | Molecular Weight (Monoisotopic): 219.1987 | AlogP: 3.47 | #Rotatable Bonds: 0 |
| Polar Surface Area: 26.02 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.46 | CX LogP: 3.08 | CX LogD: 0.33 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.66 | Np Likeness Score: 1.09 |
| 1. Torres E, Fernández R, Miquet S, Font-Bardia M, Vanderlinden E, Naesens L, Vázquez S.. (2012) Synthesis and Anti-influenza A Virus Activity of 2,2-Dialkylamantadines and Related Compounds., 3 (12): [PMID:24900429] [10.1021/ml300279b] |
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