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2-Isopropyl-adamantan-1-ylamine ID: ALA2203573
Chembl Id: CHEMBL2203573
PubChem CID: 71452178
Max Phase: Preclinical
Molecular Formula: C13H23N
Molecular Weight: 193.33
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(C)C1C2CC3CC(C2)CC1(N)C3
Standard InChI: InChI=1S/C13H23N/c1-8(2)12-11-4-9-3-10(5-11)7-13(12,14)6-9/h8-12H,3-7,14H2,1-2H3
Standard InChI Key: WVEVSRYFAWXVMQ-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: 193.33Molecular Weight (Monoisotopic): 193.1830AlogP: 2.80#Rotatable Bonds: 1Polar Surface Area: 26.02Molecular Species: BASEHBA: 1HBD: 1#RO5 Violations: 0HBA (Lipinski): 1HBD (Lipinski): 2#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 10.75CX LogP: 2.56CX LogD: -0.30Aromatic Rings: 0Heavy Atoms: 14QED Weighted: 0.68Np Likeness Score: 0.79
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 ]
