The table below displays ChEMBL targets which are predicted to interact with CHEMBL361403. The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not CHEMBL361403 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	empty	empty	both	6
CHEMBL2725	Beta-lactamase	empty	both	both	6
CHEMBL5062	Coagulation factor X	active	active	active	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:

343.00

Molecular Weight (Monoisotopic):

341.9269

AlogP:

0.75

#Rotatable Bonds:

Polar Surface Area:

133.52

Molecular Species:

ACID

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

1.78

CX Basic pKa:

CX LogP:

-0.50

CX LogD:

-5.54

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.39

Np Likeness Score:

1.27

Structural Alerts

Alert Set	Priority	Alerts
Glaxo	8	Alert ID: 79051421 Alert Name: R1 Reactive alkyl halides 1 Alert ID: 79224778 Alert Name: I15 Di and Triphosphates 2 1 - 2 out of 2
BMS	7	Alert ID: 81096490 Alert Name: gte_2_free_phos 1 Alert ID: 81240822 Alert Name: primary_halide_sulfate 2 1 - 2 out of 2
Dundee	4	Alert ID: 79590724 Alert Name: alkyl halide 1 Alert ID: 80640606 Alert Name: phosphor 2 1 - 2 out of 2
MLSMR	3	Alert ID: 82872956 Alert Name: alkyl halide 1 Alert ID: 83477050 Alert Name: Phosphoric acid 2 Alert ID: 83492243 Alert Name: Phosphoric ester 3 1 - 3 out of 4