The table below displays ChEMBL targets which are predicted to interact with CHEMBL5272107. The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not CHEMBL5272107 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	empty	both	both	6
CHEMBL5062	Coagulation factor X	empty	empty	empty	6.5
CHEMBL1947	Thyroid hormone receptor beta-1	empty	inactive	inactive	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	inactive	inactive	inactive	6

Calculated Properties

Molecular Weight:

282.47

Molecular Weight (Monoisotopic):

282.2559

AlogP:

6.11

#Rotatable Bonds:

Polar Surface Area:

37.30

Molecular Species:

ACID

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

4.89

CX Basic pKa:

CX LogP:

6.78

CX LogD:

4.31

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.29

Np Likeness Score:

0.87

Structural Alerts

Alert Set	Priority	Alerts
Glaxo	8	Alert ID: 79174530 Alert Name: I1 Aliphatic methylene chains 7 or more long 1 1 out of 1
BMS	7	Alert ID: 81088028 Alert Name: gte_10_carbon_sb_chain 1 Alert ID: 81148067 Alert Name: gte_8_CF2_or_CH2 2 1 - 2 out of 2
Dundee	4	Alert ID: 79576091 Alert Name: Aliphatic long chain 1 Alert ID: 80166794 Alert Name: isolated alkene 2 1 - 2 out of 2
MLSMR	3	Alert ID: 82120730 Alert Name: long chain hydrocarbon 1 Alert ID: 82556636 Alert Name: Long aliphatic chain 2 Alert ID: 82674706 Alert Name: Unbranched chain 3 1 - 3 out of 3