Details of the Drug

General Information of Drug (ID: DMF375O)

Drug Name

Piperidine-1-carboxylic acid adamantan-2-yl ester

Synonyms

CHEMBL1269124; Piperidine-1-carboxylic acid adamantan-2-yl ester; SCHEMBL19248187

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)

263.37

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H25NO2
IUPAC Name: 2-adamantyl piperidine-1-carboxylate
Canonical SMILES: C1CCN(CC1)C(=O)OC2C3CC4CC(C3)CC2C4
InChI: InChI=1S/C16H25NO2/c18-16(17-4-2-1-3-5-17)19-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2
InChIKey: VAQVMFMOXWTAGF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)	TTN7BL9	DHI1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)	DTT	HSD11B1	2.03E-01	-0.01	-0.08

Molecular Expression Atlas (MEA)

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References

1	Discovery and optimization of adamantyl carbamate inhibitors of 11-HSD1. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6725-9.