Details of the Drug

General Information of Drug (ID: DMMSFEU)

Drug Name

2-(1-adamantyl) pyrrolidine

Synonyms

2-(1-adamantyl)pyrrolidine; 2-(adamantan-1-yl)pyrrolidine; 180258-96-2; 2-Adamantan-1-yl-pyrrolidine; 2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyrrolidine; AC1LADDP; SCHEMBL587943; CHEMBL323901; CTK5J7450; YVRRAISBZUMEJB-UHFFFAOYSA-N; MolPort-004-320-513; ALBB-007403; ZX-AN006941; BBL022461; STK504519; AKOS016345558; AKOS000157977; RTR-059731; MCULE-4533332464; ACM180258962; TR-059731; W-9623; Pyrrolidine, 2-tricyclo[3.3.1.1~3,7~]dec-1-yl-, (2S)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

205.34

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C14H23N
IUPAC Name: 2-(1-adamantyl)pyrrolidine
Canonical SMILES: C1CC(NC1)C23CC4CC(C2)CC(C4)C3
InChI: InChI=1S/C14H23N/c1-2-13(15-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-13,15H,1-9H2
InChIKey: YVRRAISBZUMEJB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 511811
TTD ID: D04WWM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Influenza M2 protein (Influ M)	TTXT3PU	M2_I34A1	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antiviral agents active against influenza A viruses. Nat Rev Drug Discov. 2006 Dec;5(12):1015-25.