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(2-Isopropyl-adamantan-1-yl)-dimethyl-amine ID: ALA2203569
Chembl Id: CHEMBL2203569
PubChem CID: 71455732
Max Phase: Preclinical
Molecular Formula: C15H27N
Molecular Weight: 221.39
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(C)C1C2CC3CC(C2)CC1(N(C)C)C3
Standard InChI: InChI=1S/C15H27N/c1-10(2)14-13-6-11-5-12(7-13)9-15(14,8-11)16(3)4/h10-14H,5-9H2,1-4H3
Standard InChI Key: XTXGMPJBMMXLQQ-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: 221.39Molecular Weight (Monoisotopic): 221.2143AlogP: 3.40#Rotatable Bonds: 2Polar Surface Area: 3.24Molecular Species: BASEHBA: 1HBD: 0#RO5 Violations: 0HBA (Lipinski): 1HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 10.98CX LogP: 3.38CX LogD: 0.14Aromatic Rings: 0Heavy Atoms: 16QED Weighted: 0.69Np Likeness Score: 0.39
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 ]
