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AZIDOTHYMIDINE MONOPHOSPHATE

Compound

Name and Classification

ID: CHEMBL257695

Name: AZIDOTHYMIDINE MONOPHOSPHATE

Max Phase:

Preclinical Learn more

Molecular Formula: C10H14N5O7P

Molecular Weight: 347.22

Molecule Type: Small molecule

Synonyms and Trade Names:

Zidovudine Monophosphate

Representations

Molfile:

Canonical SMILES:

Standard InChI:

Standard InChI Key:

Sources

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Scientific Literature TP-search Transporter Database

Alternative Forms

Alternative forms of compound CHEMBL257695

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Parent:

CHEMBL257695

AZIDOTHYMIDINE MONOPHOSPHATE

Similar Compounds

Compounds similar to CHEMBL257695

Compounds with at least 85% similarity.

Browse All REST Service Call

CHEMBL1779528

Similarity: 85.96

CHEMBL265204

Similarity: 85.96

CHEMBL311075

Similarity: 85.96

1 - 3 out of 3

Activity Charts

Bioactivity Summary

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Activity

Ratio

IC50

T1/2

Kcat

Inhibitory activity

Brain content

CC50

EC50

External nucleoside

Internalisation

Kcat/Km

Ratio CC50/EC50

Assay Summary

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B - Binding

F - Functional

A - ADME

P - Physicochemical

T - Toxicity

Target Summary

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N/A

Enzyme

Transporter

Literature

Histogram Settings

Interval Size (1)

Total

Journal:

J Med Chem

Bioorg Med Chem Lett

Antimicrob Agents Chemother

Nat Med

Bioorg Med Chem

The table below displays ChEMBL targets which are predicted to interact with AZIDOTHYMIDINE MONOPHOSPHATE (CHEMBL257695). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not AZIDOTHYMIDINE MONOPHOSPHATE (CHEMBL257695) 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	inactive	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	empty	empty	both	6

Calculated Properties

Molecular Weight:

347.22

Molecular Weight (Monoisotopic):

347.0631

AlogP:

-0.08

#Rotatable Bonds:

Polar Surface Area:

179.61

Molecular Species:

ACID

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

1.26

CX Basic pKa:

CX LogP:

-0.42

CX LogD:

-4.04

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.29

Np Likeness Score:

0.96

Structural Alerts

Alert Set	Priority	Alerts
BMS	7	Alert ID: 81010345 Alert Name: azide 1 1 out of 1
PAINS	6	Alert ID: 81313506 Alert Name: azo_A(324) 1 1 out of 1
Dundee	4	Alert ID: 79636902 Alert Name: Azido group 1 Alert ID: 79730983 Alert Name: diazo group 2 Alert ID: 80642650 Alert Name: phosphor 3 1 - 3 out of 4
MLSMR	3	Alert ID: 81461129 Alert Name: Azide 1 Alert ID: 81466427 Alert Name: Azo 2 Alert ID: 83478273 Alert Name: Phosphoric acid 3 1 - 3 out of 4