Details of the Drug

General Information of Drug (ID: DMKSTWR)

Drug Name
L-Proline
Synonyms
Carboxypyrrolidine; Pro; Prolina; Prolinum; Prolina [Spanish]; Prolinum [Latin]; CB 1707; L-Prolin; PRO (IUPACabbreviation); Proline (USP); Proline (VAN); Proline [USAN:INN]; H-Pro-OH; L-Proline (JAN); L-Proline-15N; L-alpha-Pyrrolidinecarboxylic acid; L-Proline, labeled with carbon-14; L-Pyrrolidine-2-carboxylic acid; L-(2,3-3H)Proline; (-)-(S)-Proline; (-)-2-Pyrrolidinecarboxylic acid; (-)-Proline (S)-2-Carboxypyrrolidine; (2S)-pyrrolidine-2-carboxylic acid; (S)-2-Carboxypyrrolidine; (S)-2-Pyrrolidinecarboxylic acid; (S)-Proline; (S)-Pyrrolidine-2-carboxylic acid; 2-pyrrolidinecarboxylic acid
Indication
Disease Entry ICD 11 Status REF
Malnutrition 5B50-5B71 Approved [1]
Therapeutic Class
Dietary supplement
Drug Type
Small molecular drug
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
(2S)-pyrrolidine-2-carboxylic acid
Canonical SMILES
C1C[C@H](NC1)C(=O)O
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKey
ONIBWKKTOPOVIA-BYPYZUCNSA-N
Cross-matching ID
PubChem CID
145742
ChEBI ID
CHEMBL54922
CAS Number
4305-67-3
TTD ID
D0DZ3X
VARIDT ID
DR00179
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Rotamase A (PPIA) TTL2ADK PPIA_HUMAN Binder [2]
Rotamase B (PPIB) TT6ZFQ4 PPIB_HUMAN Binder [3]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sodium-dependent proline transporter (SLC6A7) DTH1GEL SC6A7_HUMAN Substrate [4]
Proton-coupled amino acid transporter 4 (SLC36A4) DTBS49U S36A4_HUMAN Substrate [5]
Na(+)/Cl(-) betaine/GABA transporter (SLC6A12) DTBPTJF S6A12_HUMAN Substrate [6]
L-type amino acid transporter 2 (SLC7A8) DTJF3DX LAT2_HUMAN Substrate [7]
Proton-coupled amino acid transporter 1 (SLC36A1) DT48WEM S36A1_HUMAN Substrate [8]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3314).
2 Mechanistic insight into the role of transition-state stabilization in cyclophilin A. J Am Chem Soc. 2009 Jan 14;131(1):147-52.
3 Escherichia coli cyclophilin B binds a highly distorted form of trans-prolyl peptide isomer. Eur J Biochem. 2004 Sep;271(18):3794-803.
4 A new association between polymorphisms of the SLC6A7 gene in the chromosome 5q31-32 region and asthma. J Hum Genet. 2010 Jun;55(6):358-65.
5 SLC36A4 (hPAT4) is a high affinity amino acid transporter when expressed in Xenopus laevis oocytes. J Biol Chem. 2011 Jan 28;286(4):2455-60.
6 Interpreting metabolomic profiles using unbiased pathway models. PLoS Comput Biol. 2010 Feb 26;6(2):e1000692.
7 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.3.8.20)
8 PAT1 (SLC36A1) shows nuclear localization and affects growth of smooth muscle cells from rats. Am J Physiol Endocrinol Metab. 2014 Jan 1;306(1):E65-74.