1-Aminocyclopropane carboxylic acid
ID: CHEMBL265325
Name: 1-Aminocyclopropane carboxylic acid
Max Phase:
Preclinical
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Molecular Formula: C4H7NO2
Molecular Weight: 101.11
Molecule Type: Small molecule
Synonyms and Trade Names:
1-Aminocyclopropanecarboxylic Acid
1-Aminocyclopropane Carboxylic Acid
1-Amino-Cyclopropanecarboxylic Acid
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Alternative forms of compound CHEMBL265325
Compounds similar to CHEMBL265325
Compounds with at least 85% similarity.
1
1 out of 1
Showing data from CHEMBL265325 (1-Aminocyclopropane carboxylic acid) and its 1 alternative forms.
Bioactivity Summary
Total
61
Potency
Inhibition
IC50
AC50
CL
Vdss
EC50
ED50
Ki
Showing data from CHEMBL265325 (1-Aminocyclopropane carboxylic acid) and its 1 alternative forms.
Assay Summary
Total
57
F - Functional
A - ADME
B - Binding
Showing data from CHEMBL265325 (1-Aminocyclopropane carboxylic acid) and its 1 alternative forms.
Target Summary
Total
35
Enzyme
N/A
Epigenetic regulator
Transporter
Ion channel
Membrane receptor
Unclassified protein
Other nuclear protein
Structural protein
Histogram Settings
|
Total
10
Journal:
N/A
J Med Chem
J Pharm Sci
Mol Pharmacol
The table below displays ChEMBL targets which are predicted to interact with 1-Aminocyclopropane carboxylic acid (CHEMBL265325). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not 1-Aminocyclopropane carboxylic acid (CHEMBL265325) 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 | inactive | 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:
101.11
Molecular Weight (Monoisotopic):
101.0477
AlogP:
-0.44
#Rotatable Bonds:
1
Polar Surface Area:
63.32
Molecular Species:
ZWITTERION
HBA:
2
HBD:
2
#RO5 Violations:
0
HBA (Lipinski):
3
HBD (Lipinski):
3
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
2.20
CX Basic pKa:
9.35
CX LogP:
-2.72
CX LogD:
-2.72
Aromatic Rings:
0
Heavy Atoms:
7
QED Weighted:
0.47
Np Likeness Score:
1.08
UniChem Connectivity Layer Cross References for
CHEMBL265325
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL265325 | ||||
| DB02085 | ||||
| 1AC | ||||
| C01234 | ||||
| 18053 |
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