CHEMBL350832


ID: CHEMBL350832
Name: Undefined
Max Phase:
Preclinical Learn more
Molecular Formula: C16H12Cl2O2
Molecular Weight: 307.18
Molecule Type: Small molecule
Molfile:

Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Alternative forms of compound CHEMBL350832
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Parent:

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Bioactivity Summary
Ki
Total
8
Ki
Assay Summary
F - Func...
Total
8
F - Functional
Target Summary
Membrane...
Total
8
Membrane receptor
No data available. (Documents related to CHEMBL350832)

The table below displays ChEMBL targets which are predicted to interact with CHEMBL350832. The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not CHEMBL350832 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-lactamaseemptybothboth6
CHEMBL5062Coagulation factor Xemptyemptyinactive6.5
CHEMBL1947Thyroid hormone receptor beta-1emptyinactiveinactive7
CHEMBL2157850Ubiquitin carboxyl-terminal hydrolase 7inactiveinactiveinactive6
Molecular Weight:
307.18
Molecular Weight (Monoisotopic):
306.0214
AlogP:
4.68
#Rotatable Bonds:
4
Polar Surface Area:
37.30
Molecular Species:
ACID
HBA:
1
HBD:
1
#RO5 Violations:
0
HBA (Lipinski):
2
HBD (Lipinski):
1
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
3.89
CX Basic pKa:
--
CX LogP:
5.44
CX LogD:
2.22
Aromatic Rings:
2
Heavy Atoms:
20
QED Weighted:
0.83
Np Likeness Score:
-0.36
Alert SetPriorityAlerts
Dundee4
Alert ID: 80180178 Alert Name: Michael acceptor
1
1 out of 1
MLSMR3
Alert ID: 83256505 Alert Name: vinyl michael acceptor1
1
1 out of 1
UniChem Connectivity Layer Cross References for CHEMBL350832

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