Details of the Drug

General Information of Drug (ID: DM462BT)

Drug Name
Milchsaure
Synonyms
(+/-)-Lactic acid; 1-Hydroxyethanecarboxylic acid; 2-hydroxypropanoic acid; 2-hydroxypropionic acid; 26100-51-6; Acidum lacticum; Aethylidenmilchsaeure; DL-Lactic acid; DL-Milchsaeure; Ethylidenelactic acid; Kyselina 2-hydroxypropanova; Kyselina mlecna; Lactic acid; Lactic acid (natural); Lactic acid USP; Lacticum acidum; Lactovagan; Milchsaeure; Milchsaure; Milchsaure [German]; Milk acid; Ordinary lactic acid; Polylactic acid; Propanoic acid, 2-hydroxy-; Racemic lactic acid; Tonsillosan; alpha-Hydroxypropionic acid; lactate; lactic acid
Indication
Disease Entry ICD 11 Status REF
Pruritus EC90 Approved [1]
ATC Code
G01AD01: Milchsaure
G01AD: Organic acids
G01A: ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G: GENITO URINARY SYSTEM AND SEX HORMONES
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 90.078
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
2-hydroxypropanoic acid
Canonical SMILES
CC(C(=O)O)O
InChI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
InChIKey
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
612
ChEBI ID
CHEMBL78320
CAS Number
50-21-5
UNII
W92NDP347A
DrugBank ID
DB15037
VARIDT ID
DR01241
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Monocarboxylate transporter 4 (SLC16A3) DTAKRNM MOT4_HUMAN Substrate [2]
Monocarboxylate transporter 2 (SLC16A7) DTLT3UG MOT2_HUMAN Substrate [3]
Monocarboxylate transporter 1 (SLC16A1) DT342ZG MOT1_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
(3R)-3-hydroxyacyl-CoA dehydrogenase (HSD17B8) OTX1DWEF DHB8_HUMAN Gene/Protein Processing [5]
(Lyso)-N-acylphosphatidylethanolamine lipase (ABHD4) OTQK3M9X ABHD4_HUMAN Gene/Protein Processing [5]
1,4-alpha-glucan-branching enzyme (GBE1) OTK2N05B GLGB_HUMAN Gene/Protein Processing [5]
1-acyl-sn-glycerol-3-phosphate acyltransferase beta (AGPAT2) OT5I4Y9K PLCB_HUMAN Gene/Protein Processing [5]
1-acyl-sn-glycerol-3-phosphate acyltransferase delta (AGPAT4) OT5CTQKO PLCD_HUMAN Gene/Protein Processing [5]
1-acyl-sn-glycerol-3-phosphate acyltransferase gamma (AGPAT3) OTAUR5TG PLCC_HUMAN Gene/Protein Processing [5]
1-acylglycerol-3-phosphate O-acyltransferase ABHD5 (ABHD5) OTY829Z3 ABHD5_HUMAN Gene/Protein Processing [5]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-3 (PLCD3) OTB22A4J PLCD3_HUMAN Gene/Protein Processing [5]
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-2 (PLCH2) OTYERO80 PLCH2_HUMAN Gene/Protein Processing [5]
14-3-3 protein eta OTP8NJFJ 1433F_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 The low-affinity monocarboxylate transporter MCT4 is adapted to the export of lactate in highly glycolytic cells. Biochem J. 2000 Aug 15;350 Pt 1:219-27.
3 Characterization of the high-affinity monocarboxylate transporter MCT2 in Xenopus laevis oocytes. Biochem J. 1999 Aug 1;341 ( Pt 3):529-35.
4 Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9.
5 Transcriptional profiling of lactic acid treated reconstructed human epidermis reveals pathways underlying stinging and itch. Toxicol In Vitro. 2019 Jun;57:164-173.