ACETAMIDE


ID: CHEMBL16081
Name: ACETAMIDE
Max Phase:
Preclinical Learn more
Molecular Formula: C2H5NO
Molecular Weight: 59.07
Molecule Type: Small molecule
Synonyms and Trade Names:
Acetamide
Molfile:

Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Alternative forms of compound CHEMBL16081
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ACETAMIDE
Bioactivity Summary
WEIGHT Tissue S... Other
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
F - Func... P - Phys... A - ADME B - Binding
Total
29
F - Functional
P - Physicochemical
A - ADME
B - Binding
T - Toxicity
Target Summary
Enzyme N/A Epigenet... Unclassi... Membrane... Other nu... Structur...
Total
22
Enzyme
N/A
Epigenetic regulator
Unclassified protein
Membrane receptor
Other nuclear protein
Structural protein
Histogram Settings


0.33 0.67 1 1.33 1.67 2 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 30... Year→
|
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

TargetTarget Pref. NameConfidence 70%Confidence 80%Confidence 90%Activity Threshold
CHEMBL2902Dihydrofolate reductaseinactiveinactiveinactive6
CHEMBL2725Beta-lactamaseinactiveinactiveboth6
CHEMBL5062Coagulation factor Xemptyemptyempty6.5
CHEMBL1947Thyroid hormone receptor beta-1inactiveinactiveinactive7
CHEMBL2157850Ubiquitin carboxyl-terminal hydrolase 7emptyinactiveinactive6
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.


ChEMBL
DrugBank
PDBe (Protein Data Bank Europe)
Guide to Pharmacology
KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand
MatchIdentical ComponentSIP
CHEMBL16081
DB02736
ACM
4661
C06244
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