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TMP

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Data Packages
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Identification

Generic Name
TMP
DrugBank Accession Number
DB04243
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 338.2079
Monoisotopic: 338.0515166
Chemical Formula
C10H15N2O9P
Synonyms
  • 5-methyl-5'-uridylic acid
  • 5-methyluridine 5'-monophosphate
  • 5-methyluridine 5'-phosphate
  • ribo-TMP
  • ribosylthymidine 5'-monophosphate
  • ribosylthymidine 5'-phosphate
  • ribosylthymine 5'-monophosphate
  • ribosylthymine 5'-phosphate
  • ribothymidine 5'-phosphate
  • rTMP
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
USingle-stranded DNA-binding proteinNot AvailableEscherichia coli (strain K12)
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleotides
Sub Class
Pyrimidine ribonucleotides
Direct Parent
Pyrimidine ribonucleoside monophosphates
Alternative Parents
Pentose phosphates / Glycosylamines / Monosaccharide phosphates / Pyrimidones / Monoalkyl phosphates / Hydropyrimidines / Vinylogous amides / Tetrahydrofurans / Heteroaromatic compounds / Ureas
show 9 more
Substituents
1,2-diol / Alcohol / Alkyl phosphate / Aromatic heteromonocyclic compound / Azacycle / Glycosyl compound / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Lactam
show 24 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
pyrimidine ribonucleoside 5'-monophosphate (CHEBI:77120)
Affected organisms
Not Available

Chemical Identifiers

UNII
Not Available
CAS number
Not Available
InChI Key
IGWHDMPTQKSDTL-JXOAFFINSA-N
InChI
InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
IUPAC Name
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
SMILES
CC1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC1=O

References

General References
Not Available
PubChem Compound
12803287
PubChem Substance
46506731
ChemSpider
10445259
ChEBI
77120
ChEMBL
CHEMBL1230421
PDBe Ligand
5MU
Wikipedia
TMP
PDB Entries
1asy / 1asz / 1b23 / 1c0a / 1c2w / 1efw / 1eg0 / 1ehz / 1eqq / 1evv …
show 608 more

Clinical Trials

Clinical Trials
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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility8.91 mg/mLALOGPS
logP-1.7ALOGPS
logP-1.8Chemaxon
logS-1.6ALOGPS
pKa (Strongest Acidic)1.23Chemaxon
pKa (Strongest Basic)-2.1Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area169.35 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity68.12 m3·mol-1Chemaxon
Polarizability28.47 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.8598
Blood Brain Barrier+0.6957
Caco-2 permeable-0.8196
P-glycoprotein substrateNon-substrate0.7034
P-glycoprotein inhibitor INon-inhibitor0.8815
P-glycoprotein inhibitor IINon-inhibitor0.9829
Renal organic cation transporterNon-inhibitor0.9501
CYP450 2C9 substrateNon-substrate0.5972
CYP450 2D6 substrateNon-substrate0.8568
CYP450 3A4 substrateNon-substrate0.5379
CYP450 1A2 substrateNon-inhibitor0.9039
CYP450 2C9 inhibitorNon-inhibitor0.899
CYP450 2D6 inhibitorNon-inhibitor0.9047
CYP450 2C19 inhibitorNon-inhibitor0.8809
CYP450 3A4 inhibitorNon-inhibitor0.9114
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9498
Ames testNon AMES toxic0.8956
CarcinogenicityNon-carcinogens0.8874
BiodegradationNot ready biodegradable0.5506
Rat acute toxicity2.0745 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9654
hERG inhibition (predictor II)Non-inhibitor0.8007
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0002-9601000000-8f8d2a7c8bed1e66c248
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004l-0940000000-d1b1c426e7b81fddbfd9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002r-5009000000-7dc417cac4173dc90e9a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0900000000-70e0206dc4afa7b0ebed
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9001000000-6c0ac77204d147956c3f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-2910000000-38ac0a246e8eaad732b7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9010000000-2e058e9808107d069bc9
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-188.4539199
predicted
DarkChem Lite v0.1.0
[M-H]-158.4662
predicted
DeepCCS 1.0 (2019)
[M+H]+188.9456199
predicted
DarkChem Lite v0.1.0
[M+H]+160.86177
predicted
DeepCCS 1.0 (2019)
[M+Na]+187.6275199
predicted
DarkChem Lite v0.1.0
[M+Na]+166.7743
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Single-stranded DNA-binding protein
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Single-stranded dna binding
Specific Function
Plays an important role in DNA replication, recombination and repair. Binds to ssDNA and to an array of partner proteins to recruit them to their sites of action during DNA metabolism. Acts as a sl...
Gene Name
ssb
Uniprot ID
P0AGE0
Uniprot Name
Single-stranded DNA-binding protein
Molecular Weight
18975.005 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52