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Compound Detail

CHEMBL605877

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O=C1NC(CO)C=CN1C1O[C@H](CO)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL605877
Phase Preclinical
Structure Type MOL
InChI Key JUJHLFFBRZXSTL-WIUUEXBZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
-2.67
ALogP
6
HBA
5
HBD
122.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N2O6
MW 260.25
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.43

Activity Summary

Ki 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytidine deaminase
CHEMBL2110
Ki 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytidine deaminase Ki = 400.0 nM 6.4 Compound was tested for the inhibitory constant for mouse kidney cytidine deamin... 3735306

Literature References

PubMed DOI Target Context # Activities
3735306 10.1021/jm00158a009 Cytidine deaminase 1
3735306 10.1021/jm00158a009 L1210 1

Data from ChEMBL 36 via Core Engine