The table below displays ChEMBL targets which are predicted to interact with NERVONIC ACID (CHEMBL1173379). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not NERVONIC ACID (CHEMBL1173379) 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	active	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:

366.63

Molecular Weight (Monoisotopic):

366.3498

AlogP:

8.45

#Rotatable Bonds:

Polar Surface Area:

37.30

Molecular Species:

ACID

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

4.95

CX Basic pKa:

CX LogP:

9.45

CX LogD:

7.04

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.16

Np Likeness Score:

0.67

Structural Alerts

Alert Set	Priority	Alerts
Glaxo	8	Alert ID: 79151374 Alert Name: I1 Aliphatic methylene chains 7 or more long 1 1 out of 1
BMS	7	Alert ID: 81072970 Alert Name: gte_10_carbon_sb_chain 1 Alert ID: 81131235 Alert Name: gte_8_CF2_or_CH2 2 1 - 2 out of 2
Dundee	4	Alert ID: 79403318 Alert Name: Aliphatic long chain 1 Alert ID: 80101127 Alert Name: isolated alkene 2 1 - 2 out of 2
MLSMR	3	Alert ID: 82088331 Alert Name: long chain hydrocarbon 1 Alert ID: 82263146 Alert Name: Long aliphatic chain 2 Alert ID: 82609019 Alert Name: Unbranched chain 3 1 - 3 out of 3