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Compound Detail

CHEMBL1234242

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Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1234242
Phase Preclinical
Structure Type MOL
InChI Key LUCHPKXVUGJYGU-XLPZGREQSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
-1.23
ALogP
7
HBA
3
HBD
110.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H15N3O4
MW 241.25
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.10

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
7097717 10.1021/jm00348a007 Thymidine kinase, cytosolic 3
38294854 10.1021/acs.jmedchem.3c01820 Methylcytosine dioxygenase TET1 2
38294854 10.1021/acs.jmedchem.3c01820 Unchecked 2
7097717 10.1021/jm00348a007 Thymidine kinase 2 1
7097717 10.1021/jm00348a007 Unchecked 1
27980707 10.1021/acsmedchemlett.5b00366 Unchecked 1
38294854 10.1021/acs.jmedchem.3c01820 Methylcytosine dioxygenase TET2 1
38294854 10.1021/acs.jmedchem.3c01820 Methylcytosine dioxygenase TET3 1
38294854 10.1021/acs.jmedchem.3c01820 U2OS 1

Data from ChEMBL 36 via Core Engine