The table below displays ChEMBL targets which are predicted to interact with CHEMBL2159526. The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not CHEMBL2159526 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	active	active	active	6
CHEMBL5062	Coagulation factor X	empty	empty	empty	6.5
CHEMBL1947	Thyroid hormone receptor beta-1	empty	empty	inactive	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	inactive	inactive	inactive	6

Calculated Properties

Molecular Weight:

368.26

Molecular Weight (Monoisotopic):

367.0854

AlogP:

4.00

#Rotatable Bonds:

Polar Surface Area:

73.39

Molecular Species:

BASE

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

9.43

CX Basic pKa:

8.81

CX LogP:

2.93

CX LogD:

1.81

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.56

Np Likeness Score:

-1.37

Structural Alerts

Alert Set	Priority	Alerts
Dundee	4	Alert ID: 79461430 Alert Name: Aliphatic long chain 1 1 out of 1
MLSMR	3	Alert ID: 82377413 Alert Name: Long aliphatic chain 1 Alert ID: 82630281 Alert Name: Unbranched chain 2 1 - 2 out of 2