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Compound Detail

CHEMBL54918

5-FLUOROURIDINE
🧪 Phase II
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🧪 Phase II
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL54918
Name 5-FLUOROURIDINE
Phase Phase II
Structure Type MOL
InChI Key FHIDNBAQOFJWCA-UAKXSSHOSA-N

Known Names

5-fluorouridine NSC-146604
19
Targets
29
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Indications

Molecular Properties

262.2
MW (Da)
-2.71
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -uridine

Extended Properties

Molecular Formula C9H11FN2O6
MW 262.19
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.91

Indications

Neoplasms

Activity Summary

IC50 27 meas. best 8.52
Ki 2 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 8.52 7.49 3.0 7
COLO 320DM
CHEMBL614562
 IC50 8.27 8.27 5.4 1
T-24
CHEMBL614774
 IC50 7.85 7.85 14.0 1
FM3A
CHEMBL614297
 IC50 7.85 7.85 14.0 1
KKLS
CHEMBL613996
 IC50 7.8 7.8 16.0 1
SW48
CHEMBL614055
 IC50 7.8 7.8 16.0 1
HeLa
CHEMBL399
 IC50 7.8 7.2575 16.0 4
NUGC-3
CHEMBL614208
 IC50 7.66 7.66 22.0 1
MKN-45
CHEMBL614354
 IC50 7.58 7.58 26.0 1
MKN-28
CHEMBL614353
 IC50 7.55 7.55 28.0 1
HT-1080
CHEMBL614580
 IC50 7.39 7.39 41.0 1
SNU-C2A
CHEMBL614304
 IC50 7.35 7.35 45.0 1
HCT-15
CHEMBL612263
 IC50 7.33 7.33 47.0 1
AZ-521 cell line
CHEMBL614274
 IC50 7.3 7.3 50.0 1
CCRF-CEM
CHEMBL382
 IC50 7.3 7.3 50.0 1
DLD-1
CHEMBL614285
 IC50 7.14 7.14 73.0 1
A549
CHEMBL392
 IC50 5.72 5.72 1900.0 1
PANC-1
CHEMBL614139
 IC50 4.96 4.96 11000.0 1
Unchecked
CHEMBL612545
 Ki 4.47 4.47 33600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 3.0 nM 8.52 In vitro inhibitory growth activity against L1210 leukemic cells by incubating 5... 2704026
L1210 IC50 = 5.0 nM 8.3 Concentration required for the 50% inhibition of growth of L1210 mouse leukemia ... 7120290
COLO 320DM IC50 = 5.4 nM 8.27 Compound was tested for its inhibitory effect on the growth of COLO 320DM tumor ... -
L1210 IC50 = 7.5 nM 8.12 Cytostatic activity against mouse L1210 cells in presence of 500 uM uracil 21330014
T-24 IC50 = 14.0 nM 7.85 Compound was tested for its inhibitory effect on the growth of T24 tumor cell li... -
L1210 IC50 = 14.0 nM 7.85 Cytostatic activity against mouse L1210 cells after 2 days by coulter counting a... 21330014
FM3A IC50 = 14.0 nM 7.85 Cytostatic activity against mouse FM3A cells after 2 days by coulter counting an... 21330014
KKLS IC50 = 16.0 nM 7.8 Compound was tested for its inhibitory effect on the growth of KKLS tumor cell l... -
SW48 IC50 = 16.0 nM 7.8 Compound was tested for its inhibitory effect on the growth of SW-48 tumor cell ... -
HeLa IC50 = 16.0 nM 7.8 Cytostatic activity against human HeLa cells in presence of 500 uM uracil 21330014
HeLa IC50 = 17.0 nM 7.77 Cytostatic activity against human HeLa cells in presence of 20 uM thymidine 21330014
NUGC-3 IC50 = 22.0 nM 7.66 Compound was tested for its inhibitory effect on the growth of NUGC-3 tumor cell... -
HeLa IC50 = 22.0 nM 7.66 Cytostatic activity against human HeLa cells in presence of 20 uM 2'-deoxyuridin... 21330014
L1210 IC50 = 26.0 nM 7.58 Cytostatic activity against mouse L1210 cells in presence of 20 uM 2'-deoxyuridi... 21330014
MKN-45 IC50 = 26.0 nM 7.58 Compound was tested for its inhibitory effect on the growth of MKN-45 tumor cell... -
MKN-28 IC50 = 28.0 nM 7.55 Compound was tested for its inhibitory effect on the growth of MKN-28 tumor cell... -
HT-1080 IC50 = 41.0 nM 7.39 Compound was tested for its inhibitory effect on the growth of HT1080 sarcoma tu... -
SNU-C2A IC50 = 45.0 nM 7.35 Compound was tested for its inhibitory effect on the growth of SUN-C2A tumor cel... -
HCT-15 IC50 = 47.0 nM 7.33 Compound was tested for its inhibitory effect on the growth of HCT-15 tumor cell... -
AZ-521 cell line IC50 = 50.0 nM 7.3 Compound was tested for its inhibitory effect on the growth of AZ-521 tumor cell... -

Literature References

PubMed DOI Target Context # Activities
7131481 10.1021/jm00351a006 Mus musculus 18
2704026 10.1021/jm00124a013 L1210 5
2704026 10.1021/jm00124a013 Mus musculus 5
21330014 10.1016/j.ejmech.2011.01.005 L1210 5
21330014 10.1016/j.ejmech.2011.01.005 HeLa 4
8648611 10.1021/jm950675q ADMET 4
21330014 10.1016/j.ejmech.2011.01.005 Coxsackievirus B4 2
3007759 10.1021/jm00154a011 Raji 2
21330014 10.1016/j.ejmech.2011.01.005 Vesicular stomatitis virus 2
3007759 10.1021/jm00154a011 L1210 2
19260677 10.1021/jm801224t NON-PROTEIN TARGET 2
2374152 10.1021/jm00170a034 Unchecked 2
- 10.1016/0960-894X(96)00339-3 AZ-521 cell line 1
7131481 10.1021/jm00351a006 L1210 1
- 10.1016/0960-894X(96)00339-3 NUGC-3 1
8648611 10.1021/jm950675q U-937 1
- 10.1016/0960-894X(96)00339-3 KKLS 1
- 10.1016/0960-894X(96)00339-3 MKN-45 1
66315 10.1021/jm00213a006 CCRF S-180 1
8648611 10.1021/jm950675q IM-9 1

Data from ChEMBL 36 via Core Engine