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Compound Detail

CHEMBL5170757

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Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5170757
Phase Preclinical
Structure Type MOL
InChI Key XDELFONZCZTHLD-FZQXZCJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

536.6
MW (Da)
-2.22
ALogP
16
HBA
6
HBD
229.9
PSA (Ų)
0.17
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N8O7S
MW 536.57
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.76

Literature References

PubMed DOI Target Context # Activities
35324190 10.1021/acs.jmedchem.1c01869 DNA (cytosine-5)-methyltransferase 1 1

Data from ChEMBL 36 via Core Engine