Details of the Drug

General Information of Drug (ID: DM82TMA)

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
Affected Organisms
Humans and other mammals
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 115.13
Logarithm of the Partition Coefficient (xlogp) -2.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H9NO2
IUPAC Name
pyrrolidine-2-carboxylic acid
Canonical SMILES
C1CC(NC1)C(=O)O
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
InChIKey
ONIBWKKTOPOVIA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
614
ChEBI ID
CHEMBL26271
CAS Number
609-36-9
UNII
9DLQ4CIU6V
DrugBank ID
DB00172
INTEDE ID
DR1350
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Proline dehydrogenase 1 (PRODH)
Main DME 		DEVJIHS PROD_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Proline metabolism and microenvironmental stress. Annu Rev Nutr. 2010 Aug 21;30:441-63.