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THYMIDINE MONOPHOSPHATE

Compound

Name and Classification

ID: CHEMBL394429

Name: THYMIDINE MONOPHOSPHATE

Max Phase:

Preclinical Learn more

Molecular Formula: C10H15N2O8P

Molecular Weight: 322.21

Molecule Type: Small molecule

Synonyms and Trade Names:

2'-Deoxythymidine Monophosphate Thymidine-5'-Phosphate Thymidine Monophosphate

Representations

Molfile:

Canonical SMILES:

Standard InChI:

Standard InChI Key:

Sources

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Scientific Literature

Alternative Forms

Alternative forms of compound CHEMBL394429

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Parent:

CHEMBL394429

THYMIDINE MONOPHOSPHATE

Alternative Forms:

CHEMBL1627078

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1 out of 1

Similar Compounds

Compounds similar to CHEMBL394429

Compounds with at least 85% similarity.

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CHEMBL1627078

Similarity: 100.00

1 out of 1

Activity Charts

Include data from Alt. Forms

Showing data from CHEMBL394429 (THYMIDINE MONOPHOSPHATE) and its 1 alternative forms.

Bioactivity Summary

Total

Incorporation rate

MIC

IC50

Kcat

Activity

Kcat/Km

Selectivity index

pKa2

Include data from Alt. Forms

Showing data from CHEMBL394429 (THYMIDINE MONOPHOSPHATE) and its 1 alternative forms.

Assay Summary

Total

B - Binding

F - Functional

A - ADME

Include data from Alt. Forms

Showing data from CHEMBL394429 (THYMIDINE MONOPHOSPHATE) and its 1 alternative forms.

Target Summary

Total

N/A

Enzyme

Literature

Histogram Settings

Interval Size (1)

Total

Journal:

J Med Chem

Eur J Med Chem

Bioorg Med Chem Lett

Antimicrob Agents Chemother

J Nat Prod

The table below displays ChEMBL targets which are predicted to interact with THYMIDINE MONOPHOSPHATE (CHEMBL394429). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not THYMIDINE MONOPHOSPHATE (CHEMBL394429) 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	empty	inactive	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	empty	empty	inactive	6

Calculated Properties

Molecular Weight:

322.21

Molecular Weight (Monoisotopic):

322.0566

AlogP:

-1.40

#Rotatable Bonds:

Polar Surface Area:

151.08

Molecular Species:

ACID

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

1.23

CX Basic pKa:

CX LogP:

-1.24

CX LogD:

-4.77

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.49

Np Likeness Score:

1.00

Structural Alerts

Alert Set	Priority	Alerts
Dundee	4	Alert ID: 80642122 Alert Name: phosphor 1 1 out of 1
MLSMR	3	Alert ID: 83477952 Alert Name: Phosphoric acid 1 Alert ID: 83492892 Alert Name: Phosphoric ester 2 1 - 2 out of 2