Navigation

ALIZARIN RED

Compound

Name and Classification

ID: CHEMBL1206015

Name: ALIZARIN RED

Max Phase:

Preclinical Learn more

Molecular Formula: C14H8O7S

Molecular Weight: 320.28

Molecule Type: Small molecule

Representations

Molfile:

Canonical SMILES:

Standard InChI:

Standard InChI Key:

Sources

Click on a chip to see all the compounds that belong to the corresponding source.

Scientific Literature

Alternative Forms

Alternative forms of compound CHEMBL1206015

Click the button below to see the parent and its alternative forms in a new page.

Browse All

Parent:

CHEMBL1206015

ALIZARIN RED

Alternative Forms:

CHEMBL175336

Alizarin Red S

1 out of 1

Similar Compounds

Compounds similar to CHEMBL1206015

Compounds with at least 85% similarity.

Browse All REST Service Call

CHEMBL175336

Alizarin Red S
Similarity: 100.00

1 out of 1

Activity Charts

Include data from Alt. Forms

Showing data from CHEMBL1206015 (ALIZARIN RED) and its 1 alternative forms.

Bioactivity Summary

Total

GI50

IC50

Inhibition

MIC

Include data from Alt. Forms

Showing data from CHEMBL1206015 (ALIZARIN RED) and its 1 alternative forms.

Assay Summary

Total

F - Functional

B - Binding

Include data from Alt. Forms

Showing data from CHEMBL1206015 (ALIZARIN RED) and its 1 alternative forms.

Target Summary

Total

N/A

Enzyme

Literature

Total

Journal:

Bioorg Med Chem

The table below displays ChEMBL targets which are predicted to interact with ALIZARIN RED (CHEMBL1206015). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not ALIZARIN RED (CHEMBL1206015) 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	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	empty	inactive	inactive	6

Calculated Properties

Molecular Weight:

320.28

Molecular Weight (Monoisotopic):

319.9991

AlogP:

1.12

#Rotatable Bonds:

Polar Surface Area:

128.97

Molecular Species:

ACID

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

-2.80

CX Basic pKa:

CX LogP:

2.79

CX LogD:

0.32

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.45

Np Likeness Score:

0.56

Structural Alerts

Alert Set	Priority	Alerts
Glaxo	8	Alert ID: 79241842 Alert Name: N1 Quinones 1 1 out of 1
PAINS	6	Alert ID: 81299757 Alert Name: quinone_A(370) 1 1 out of 1
Dundee	4	Alert ID: 79669672 Alert Name: catechol 1 Alert ID: 80814975 Alert Name: Sulfonic acid 2 1 - 2 out of 2
MLSMR	3	Alert ID: 81423267 Alert Name: Sulfonic acid 1 Alert ID: 81590142 Alert Name: Ketone 2 Alert ID: 83530818 Alert Name: Dye 4 3 1 - 3 out of 4