Details of the Drug

General Information of Drug (ID: DMAN8EH)

Drug Name
2-Aminomethyl-pyrrolidine-3,4-diol
Synonyms CHEMBL79727; 2-Aminomethyl-pyrrolidine-3,4-diol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 132.16
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C5H12N2O2
IUPAC Name
2-(aminomethyl)pyrrolidine-3,4-diol
Canonical SMILES
C1C(C(C(N1)CN)O)O
InChI
InChI=1S/C5H12N2O2/c6-1-3-5(9)4(8)2-7-3/h3-5,7-9H,1-2,6H2
InChIKey
PTUICKYMXFZVGV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11852460
TTD ID
D0Z2RR

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.