D-LACTIC ACID
ID: CHEMBL358850
Name: D-LACTIC ACID
Max Phase:
Phase 3
Learn more
Molecular Formula: C3H6O3
Molecular Weight: 90.08
Molecule Type: Small molecule
Synonyms and Trade Names:
D-(-)-LACTIC ACID
D-LACTIC ACID
LACTIC ACID, D-
PROPANOIC ACID, 2-HYDROXY-, (2R)-
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
Click on a chip to see all the compounds that belong to the
corresponding source.
Alternative forms of compound CHEMBL358850
5
Showing 1-5
out of 17 records
| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Shock
|
Shock
| 3 | |||
| 2. |
Severe Dengue
|
Dengue Hemorrhagic Fever
| 3 | |||
| 3. |
Hypovolemia
|
Hypovolemia
| 3 | |||
| 4. |
Pancreatitis
|
pancreatitis
acute pancreatitis
| 3 | |||
| 5. |
Burns
|
burn
| 3 |
Showing 1-5
out of 17 records
Compounds similar to CHEMBL358850
Compounds with at least 85% similarity.
1
2
3
1 - 3 out of 3
Bioactivity Summary
Total
35
Activity
Km
Affinity
Anticonvulsant activity
HepSE_Combined Scores
HepSE_bilirubinemia
HepSE_cholecystitis
HepSE_cholelithiasis
HepSE_cirrhosis
HepSE_elevated liver function tests
HepSE_hepatic failure
HepSE_hepatic necrosis
HepSE_hepatitis
HepSE_hepatomegaly
HepSE_jaundice
HepSE_liver disease
HepSE_liver fatty
HepSE_liver function tests abnormal
IC50
Ki
Other
Assay Summary
Total
34
F - Functional
A - ADME
B - Binding
P - Physicochemical
Histogram Settings
|
Total
18
Journal:
J Biol Chem
Biochem J
J Med Chem
J Pharmacol Exp Ther
Biochem Biophys Res Commun
J Pharm Pharmacol
J Physiol
Am J Physiol Renal Physiol
Genomics
Bioorg Med Chem Lett
PLoS Comput Biol
Pharm Res
Eur J Med Chem
The table below displays ChEMBL targets which are predicted to interact with D-LACTIC ACID (CHEMBL358850). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not D-LACTIC ACID (CHEMBL358850) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | inactive | inactive | inactive | 6 |
| CHEMBL2725 | Beta-lactamase | inactive | inactive | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | inactive | inactive | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | inactive | inactive | inactive | 6 |
Molecular Weight:
90.08
Molecular Weight (Monoisotopic):
90.0317
AlogP:
-0.55
#Rotatable Bonds:
1
Polar Surface Area:
57.53
Molecular Species:
ACID
HBA:
2
HBD:
2
#RO5 Violations:
0
HBA (Lipinski):
3
HBD (Lipinski):
2
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
3.78
CX Basic pKa:
--
CX LogP:
-0.47
CX LogD:
-3.74
Aromatic Rings:
0
Heavy Atoms:
6
QED Weighted:
0.45
Np Likeness Score:
0.53
UniChem Connectivity Layer Cross References for
CHEMBL358850
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL358850 | ||||
| CHEMBL330546 | ||||
| CHEMBL1200559 | ||||
| DB03066 | ||||
| DB14475 |
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