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
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.