ACETAMIDE
ID: CHEMBL16081
Name: ACETAMIDE
Max Phase:
Preclinical
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Molecular Formula: C2H5NO
Molecular Weight: 59.07
Molecule Type: Small molecule
Synonyms and Trade Names:
Acetamide
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 CHEMBL16081
Bioactivity Summary
Total
714
WEIGHT
Tissue Severity Score
ALB
ALBGLOB
ALP
ALT
AST
BASOLE
BILDIR
BILI
BUN
CALCIUM
CHOL
CREAT
Cl
EOSLE
GGT
GLUC
HCT
HGB
Other
Assay Summary
Total
29
F - Functional
P - Physicochemical
A - ADME
B - Binding
T - Toxicity
Target Summary
Total
22
Enzyme
N/A
Epigenetic regulator
Unclassified protein
Membrane receptor
Other nuclear protein
Structural protein
Histogram Settings
|
Total
9
Journal:
N/A
J Med Chem
Bioorg Med Chem Lett
Nat Chem Biol
Chem Res Toxicol
Bioorg Med Chem
The table below displays ChEMBL targets which are predicted to interact with ACETAMIDE (CHEMBL16081). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not ACETAMIDE (CHEMBL16081) 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 | empty | inactive | inactive | 6 |
Molecular Weight:
59.07
Molecular Weight (Monoisotopic):
59.0371
AlogP:
-0.51
#Rotatable Bonds:
0
Polar Surface Area:
43.09
Molecular Species:
NEUTRAL
HBA:
1
HBD:
1
#RO5 Violations:
0
HBA (Lipinski):
2
HBD (Lipinski):
2
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
--
CX Basic pKa:
--
CX LogP:
-1.03
CX LogD:
-1.03
Aromatic Rings:
0
Heavy Atoms:
4
QED Weighted:
0.40
Np Likeness Score:
-0.01
UniChem Connectivity Layer Cross References for
CHEMBL16081
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
Match | Identical Component | S | I | P |
---|---|---|---|---|
CHEMBL16081 | ||||
DB02736 | ||||
ACM | ||||
4661 | ||||
C06244 |
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