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2,2-Dipropyl-adamantan-1-ylamine ID: ALA2203572
Chembl Id: CHEMBL2203572
PubChem CID: 71461152
Max Phase: Preclinical
Molecular Formula: C16H29N
Molecular Weight: 235.41
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCC1(CCC)C2CC3CC(C2)CC1(N)C3
Standard InChI: InChI=1S/C16H29N/c1-3-5-15(6-4-2)14-8-12-7-13(9-14)11-16(15,17)10-12/h12-14H,3-11,17H2,1-2H3
Standard InChI Key: QJQBDLSWSLNJFZ-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 235.41Molecular Weight (Monoisotopic): 235.2300AlogP: 4.11#Rotatable Bonds: 4Polar Surface Area: 26.02Molecular Species: BASEHBA: 1HBD: 1#RO5 Violations: 0HBA (Lipinski): 1HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 10.46CX LogP: 3.99CX LogD: 1.24Aromatic Rings: 0Heavy Atoms: 17QED Weighted: 0.78Np Likeness Score: 0.58
References 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 ]
