Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1350)
Drug Name
Proline
Synonyms
D,L-proline; D-Pyrrolidine-2-carboxylic acid; DL proline; DL-Proline; DL-Proline, 99%; DL-Proline,(S); H-DL-Pro-OH; L-Proline, homopolymer; ONIBWKKTOPOVIA-UHFFFAOYSA-N; Poly(DL-proline); Poly(L-proline); Prolin; Proline #; Proline DL-form; Proline, DL-; PubChem20613; d,1-proline; laevo-proline; proline; proline;; pyrrolidine-2-carboxylic acid; (+/-)-Pyrrolidine-2-carboxylic acid; 2-Pyrrolidine carboxylic acid; 609-36-9; CCCu; CCRIS 8602; CHEBI:26271; CHEMBL72275; EINECS 210-189-3; Hpro; MFCD00005250; NSC 97923; NSC-97923; NSC97923
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 115.13 Topological Polar Surface Area 49.3
Heavy Atom Count 8 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
614
ChEBI ID
CHEBI:26271
CAS Number
609-36-9
Formula
C5H9NO2
Canonical SMILES
C1CC(NC1)C(=O)O
InChI
1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
InChIKey
ONIBWKKTOPOVIA-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Delta-1-pyrroline-5-carboxylic acid DM000318
1196
Oxidation - Oxidationn 1 [2]
Glutamate DM000317
33032
Unclear 2 [2]
Ornithine DM000321
6262
Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007605 Proline Delta-1-pyrroline-5-carboxylic acid Oxidation - Oxidationn PRODH [2]
MR007606 Delta-1-pyrroline-5-carboxylic acid Glutamate Unclear P5CDH [2]
MR007607 Delta-1-pyrroline-5-carboxylic acid Ornithine Unclear OAT [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial (P5CDH) DMEN380 Homo sapiens
AL4A1_HUMAN
1.2.1.88
[2]
Ornithine aminotransferase (OAT) DMEN381 Homo sapiens
OAT_HUMAN
2.6.1.13
[2]
Proline dehydrogenase 1 (PRODH) DME0207 Homo sapiens
PROD_HUMAN
1.5.5.2
[3]
References
1 l-Proline and RNA duplex m-value temperature dependence. J Phys Chem B. 2017 Aug 3;121(30):7247-7255.
2 Proline metabolism in cancer
3 Proline metabolism and microenvironmental stress. Annu Rev Nutr. 2010 Aug 21;30:441-63.

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