Details of the Drug

General Information of Drug (ID: DMQ90PJ)

• Drug Name: AK-41099
• Synonyms: Trans-3-hydroxy-l-proline; DL-trans-Hydroxyproline; L-Proline, 3-hydroxy-, (3S)-; SCHEMBL114870; trans-3-Hydroxyproline; trans-3-hydroxy-(L)-proline; trans-3-hydroxy-L-proline; trans-3-hydroxy-l -proline; trans-L-3-Hydroxyproline; (+)-cis-(2R,3S)-3-hydroxyproline; (2S,3S)-(-)-3-Hydroxy-L-proline; (2S,3S)-3-Hydroxypyrrolidine-2-carboxylic acid; (2S,3S)-3-hydroxyproline; (3S)-3-hydroxy-L-proline; 4298-06-0; 8ZWY97A2NG; AC1L99JX; AK-41099; CHEBI:16889; CHEMBL1233466; UNII-8ZWY97A2NG; trans-3-Hydroxypyrrolidine-2-carboxylic acid
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 131.13
  Logarithm of the Partition Coefficient (xlogp); -3.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C5H9NO3
  IUPAC Name: (2S,3S)-3-hydroxypyrrolidine-2-carboxylic acid
  Canonical SMILES: C1CNC(C1O)C(=O)O
  InChI: BJBUEDPLEOHJGE-IMJSIDKUSA-N
  InChIKey: 1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
• Cross-matching ID:
  PubChem CID: 440575
  ChEBI ID: CHEBI:16889
  CAS Number: 4298-08-2
  INTEDE ID: DR2130

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Trans-L-3-hydroxyproline dehydratase (L3HYPDH) Main DME	DESN3MD	T3HPD_HUMAN	Substrate	[1]

References

• [1] An enzymatic method to estimate the content of L-hydroxyproline. J Biotechnol. 2015 Apr 10;199:9-16.