Details of the Drug

General Information of Drug (ID: DMS947W)

Drug Name

2-Cyclopentylaminomethyl-pyrrolidine-3,4-diol

Synonyms

CHEMBL84940; 2-Cyclopentylaminomethyl-pyrrolidine-3,4-diol

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)

200.28

Logarithm of the Partition Coefficient (xlogp)

-0.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H20N2O2
IUPAC Name: 2-[(cyclopentylamino)methyl]pyrrolidine-3,4-diol
Canonical SMILES: C1CCC(C1)NCC2C(C(CN2)O)O
InChI: InChI=1S/C10H20N2O2/c13-9-6-12-8(10(9)14)5-11-7-3-1-2-4-7/h7-14H,1-6H2
InChIKey: CAYLVMUUXWDLQS-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Intestinal maltase-glucoamylase (MGAM)	TTXWASR	MGA_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
Intestinal maltase-glucoamylase (MGAM)	DTT	MGAM	4.59E-01	-0.02	-0.24

Molecular Expression Atlas (MEA)

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References

1	Derivatives of (2R,3R,4S)-2-aminomethylpyrrolidine-3,4-diol are selective alpha-mannosidase inhibitors. Bioorg Med Chem Lett. 2001 Sep 17;11(18):2489-93.