LEVOMEFOLIC ACID
ID: CHEMBL1231574
Name: LEVOMEFOLIC ACID
Max Phase:
Approved
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First Approval: 2010
Molecular Formula: C20H25N7O6
Molecular Weight: 459.46
Molecule Type: Small molecule
Synonyms and Trade Names:
5- METHYLTETRAHYDROFOLATE
5-MTHF
(6S)-5-METHYLTETRAHYDROFOLATE
ACIDE LEVOMEFOLIQUE
ACIDO LEVOMEFOLICO
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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corresponding source.
Alternative forms of compound CHEMBL1231574
5
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| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Acne Vulgaris
|
acne
| 4 | |||
| 2. |
Anemia, Iron-Deficiency
|
Iron deficiency anemia
| 4 | |||
| 3. |
Attention Deficit Disorder with Hyperactivity
|
attention deficit hyperactivity disorder
| 2 |
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5
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| # | Mechanism of Action | Action Type | Target ChEMBL ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|---|---|---|---|---|---|---|---|
| 1. |
Unknown
|
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Compounds similar to CHEMBL1231574
Compounds with at least 85% similarity.
1
2
3
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Showing data from CHEMBL1231574 (LEVOMEFOLIC ACID) and its 1 alternative forms.
Bioactivity Summary
Total
11
Inhibition
Ki
DILI_Concern
DILI_severity_class
Km
Showing data from CHEMBL1231574 (LEVOMEFOLIC ACID) and its 1 alternative forms.
Assay Summary
Total
10
F - Functional
B - Binding
T - Toxicity
Showing data from CHEMBL1231574 (LEVOMEFOLIC ACID) and its 1 alternative forms.
Target Summary
Total
6
N/A
Transporter
Enzyme
Epigenetic regulator
Histogram Settings
|
Total
3
Journal:
Am J Physiol
J Pharmacol Exp Ther
N/A
The table below displays ChEMBL targets which are predicted to interact with LEVOMEFOLIC ACID (CHEMBL1231574). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not LEVOMEFOLIC ACID (CHEMBL1231574) 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 | empty | inactive | both | 6 |
| CHEMBL2725 | Beta-lactamase | inactive | inactive | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | active | 6 |
Molecular Weight:
459.46
Molecular Weight (Monoisotopic):
459.1866
AlogP:
-0.26
#Rotatable Bonds:
9
Polar Surface Area:
202.77
Molecular Species:
ACID
HBA:
9
HBD:
7
#RO5 Violations:
1
HBA (Lipinski):
13
HBD (Lipinski):
8
#RO5 Violations (Lipinski):
2
CX Acidic pKa:
2.56
CX Basic pKa:
5.30
CX LogP:
-2.98
CX LogD:
-7.66
Aromatic Rings:
2
Heavy Atoms:
33
QED Weighted:
0.26
Np Likeness Score:
0.27
UniChem Connectivity Layer Cross References for
CHEMBL1231574
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL310604 | ||||
| CHEMBL469662 | ||||
| DB04422 | ||||
| HCS | ||||
| KCY |
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