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Compound Detail

CHEMBL1169490

4'-THIO-2'-DEOXYCYTIDINE
Phase I
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Phase I
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)S2)c(=O)n1

Basic Information

ChEMBL ID CHEMBL1169490
Name 4'-THIO-2'-DEOXYCYTIDINE
Phase Phase I
Structure Type MOL
InChI Key MOMUJZRKXYLWMH-SHYZEUOFSA-N

Known Names

2'-deoxy-4'-thiocytidine 4'-thio-2'-deoxycytidine 4'-thio-2'-deoxycytidine, (-)- NSC-764276 Tdcyd
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
5
Known Names
1
Indications

Molecular Properties

243.3
MW (Da)
-0.82
ALogP
7
HBA
3
HBD
101.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -tidine

Extended Properties

Molecular Formula C9H13N3O3S
MW 243.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.66

Indications

Neoplasms

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 1200.0 nM 5.92 The concentration required to produce a 50% reduction in the rate of cell prolif... 1652015

Literature References

PubMed DOI Target Context # Activities
19029322 10.1128/aac.01257-08 Vaccinia virus 3
1652015 10.1021/jm00112a007 L1210 1
1652015 10.1021/jm00112a007 HEp-2 1
19029322 10.1128/aac.01257-08 Cowpox virus 1

Data from ChEMBL 36 via Core Engine