The table below displays ChEMBL targets which are predicted to interact with CHEMBL5169585. The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not CHEMBL5169585 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	both	6
CHEMBL2725	Beta-lactamase	inactive	inactive	both	6
CHEMBL5062	Coagulation factor X	empty	empty	empty	6.5
CHEMBL1947	Thyroid hormone receptor beta-1	empty	empty	empty	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	empty	empty	active	6

Calculated Properties

Molecular Weight:

658.42

Molecular Weight (Monoisotopic):

658.1050

AlogP:

-1.63

#Rotatable Bonds:

Polar Surface Area:

309.68

Molecular Species:

ACID

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

1.53

CX Basic pKa:

5.22

CX LogP:

-8.38

CX LogD:

-7.39

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.13

Np Likeness Score:

0.63

Structural Alerts

Alert Set	Priority	Alerts
BMS	7	Alert ID: 81100995 Alert Name: gte_2_free_phos 1 1 out of 1
Dundee	4	Alert ID: 80667549 Alert Name: phosphor 1 1 out of 1
MLSMR	3	Alert ID: 83489060 Alert Name: Phosphoric acid 1 Alert ID: 83505953 Alert Name: Phosphoric ester 2 1 - 2 out of 2