Details of the Drug

General Information of Drug (ID: DMO1Z5Q)

Drug Name
L-lactic acid
Synonyms L-lactate; lactate; (S)-lactate; (S)-lactic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 90.08
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C3H6O3
IUPAC Name
(2S)-2-hydroxypropanoic acid
Canonical SMILES
C[C@@H](C(=O)O)O
InChI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
InChIKey
JVTAAEKCZFNVCJ-REOHCLBHSA-N
Cross-matching ID
PubChem CID
107689
ChEBI ID
CHEBI:422
CAS Number
79-33-4
UNII
F9S9FFU82N
DrugBank ID
DB14475
TTD ID
D06FZS
VARIDT ID
DR01492
INTEDE ID
DR2055

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
G protein coupled receptor 81 (HCAR1) TTVK4ZO HCAR1_HUMAN Agonist [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Lactate dehydrogenase C (LDHC)
Main DME 		DEQG7F9 LDHC_HUMAN Substrate [3]
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: 2932).
2 Screening beta-arrestin recruitment for the identification of natural ligands for orphan G-protein-coupled receptors. J Biomol Screen. 2013 Jun;18(5):599-609.
3 Kinetic characterization of lactate dehydrogenase in normal and malignant human breast tissues. Cancer Cell Int. 2015 Feb 15;15:19.