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Compound Detail

CHEMBL609234

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C#C[C@]1(O)[C@@H](CO)OC(n2ccc(=O)c3c(N)ncnc32)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL609234
Phase Preclinical
Structure Type MOL
InChI Key PWXXELKTLJSRGP-GPGLCMDVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
-2.01
ALogP
9
HBA
4
HBD
143.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N4O5
MW 318.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.89

Literature References

PubMed DOI Target Context # Activities
11020285 10.1021/jm000073t NON-PROTEIN TARGET 2
11020285 10.1021/jm000073t B16 1

Data from ChEMBL 36 via Core Engine