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Compound Detail

CHEMBL463480

6-AZA-URIDINE MONOPHOSPHATE
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O=c1cnn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463480
Name 6-AZA-URIDINE MONOPHOSPHATE
Phase Preclinical
Structure Type MOL
InChI Key LRVZOSYMNMNQFR-SHUUEZRQSA-N
6
Targets
10
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

325.2
MW (Da)
-3.34
ALogP
9
HBA
5
HBD
184.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H12N3O9P
MW 325.17
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.82

Activity Summary

IC50 5 meas. best 5.55
Ki 5 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Orotidine 5'-phosphate decarboxylase
CHEMBL4858
 Ki 7.19 7.19 64.0 1
Orotidine phosphate decarboxylase
CHEMBL5173
 Ki 6.0 6.0 1000.0 1
Unchecked
CHEMBL612545
 Ki 5.96 5.435 1100.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.55 5.165 2800.0 4
Orotidine 5'-phosphate decarboxylase
CHEMBL5688
 Ki 4.91 4.91 12400.0 1
OCI-AML2
CHEMBL2366220
 IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Orotidine 5'-phosphate decarboxylase Ki = 64.0 nM 7.19 Inhibition of Saccharomyces cerevisiae ODCase at 25 degreeC by competitive bindi... 16884305
Orotidine phosphate decarboxylase Ki = 1000.0 nM 6.0 Inhibition of Plasmodium falciparum ODCase at 25 degreeC by competitive binding ... 16884305
Unchecked Ki = 1100.0 nM 5.96 Inhibition of Plasmodium falciparum ODCase 18189347
NON-PROTEIN TARGET IC50 = 2800.0 nM 5.55 Antitumor activity against human SKW3 cells after 3 days by WST1 assay 19260677
NON-PROTEIN TARGET IC50 = 6100.0 nM 5.21 Antitumor activity against human OCI-AML1 cells after 3 days by WST1 assay 19260677
NON-PROTEIN TARGET IC50 = 6700.0 nM 5.17 Antitumor activity against human LOX cells after 3 days by WST1 assay 19260677
Orotidine 5'-phosphate decarboxylase Ki = 12400.0 nM 4.91 Inhibition of Methanobacterium thermoautotrophicum ODCase at 55 degreeC by compe... 16884305
Unchecked Ki = 12400.0 nM 4.91 Inhibition of Methanobacterium thermoautotrophicum ODCase 18189347
OCI-AML2 IC50 = 16000.0 nM 4.8 Antitumor activity against human OCI-AML2 cells after 3 days by WST1 assay 19260677
NON-PROTEIN TARGET IC50 = 18700.0 nM 4.73 Antitumor activity against human OCI-My 2 cells after 3 days by WST1 assay 19260677

Literature References

PubMed DOI Target Context # Activities
19260677 10.1021/jm801224t NON-PROTEIN TARGET 8
18189347 10.1021/jm7010673 Unchecked 3
16884305 10.1021/jm060202r Orotidine 5'-phosphate decarboxylase 2
19260677 10.1021/jm801224t MCF7 2
16884305 10.1021/jm060202r Orotidine phosphate decarboxylase 1
19260677 10.1021/jm801224t OCI-AML2 1
19260677 10.1021/jm801224t OVCAR-4 1
19260677 10.1021/jm801224t COLO 205 1
19260677 10.1021/jm801224t ADMET 1
19260677 10.1021/jm801224t T47D 1
19260677 10.1021/jm801224t PC-3 1
19260677 10.1021/jm801224t SNB-19 1

Data from ChEMBL 36 via Core Engine