3-AMINOBENZAMIDE
ID: CHEMBL81977
Name: 3-AMINOBENZAMIDE
Max Phase:
Preclinical
Learn more
Molecular Formula: C7H8N2O
Molecular Weight: 136.15
Molecule Type: Small molecule
Synonyms and Trade Names:
3-Aminobenzamide
3-Amino-Benzamide
3-Aminobenzaminde
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 CHEMBL81977
Bioactivity Summary
Total
322
IC50
Ki
Potency
Inhibition
AC50
Concentration
Target Summary
Total
125
Membrane receptor
Enzyme
Transcription factor
Transporter
N/A
Epigenetic regulator
Ion channel
Other nuclear protein
Structural protein
Unclassified protein
Histogram Settings
|
Total
26
Journal:
J Med Chem
Bioorg Med Chem Lett
N/A
Eur J Med Chem
Nat Chem Biol
Mol Pharmacol
The table below displays ChEMBL targets which are predicted to interact with 3-AMINOBENZAMIDE (CHEMBL81977). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not 3-AMINOBENZAMIDE (CHEMBL81977) 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 | empty | 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:
136.15
Molecular Weight (Monoisotopic):
136.0637
AlogP:
0.37
#Rotatable Bonds:
1
Polar Surface Area:
69.11
Molecular Species:
NEUTRAL
HBA:
2
HBD:
2
#RO5 Violations:
0
HBA (Lipinski):
3
HBD (Lipinski):
4
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
--
CX Basic pKa:
3.23
CX LogP:
-0.01
CX LogD:
-0.01
Aromatic Rings:
1
Heavy Atoms:
10
QED Weighted:
0.55
Np Likeness Score:
-1.07
UniChem Connectivity Layer Cross References for
CHEMBL81977
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL81977 | ||||
| 3AB | ||||
| 64042 | ||||
| ZINC000000157165 | ||||
| 492147 |
ChEMBL is part of the ELIXIR infrastructure
ChEMBL is and Elixir Core Data Resource
Learn More
ChEMBL is a Global Core Biodata Resource