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Compound Detail

CHEMBL2112132

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C=C1[C@H](n2ccc(=O)c3c(N)ncnc32)O[C@H](CO)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2112132
Phase Preclinical
Structure Type MOL
InChI Key BZMAUQOXXKPIFN-DFAYQTQMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
-0.82
ALogP
8
HBA
3
HBD
123.5
PSA (Ų)
0.62
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 C13H14N4O4
MW 290.28
Aromatic Rings 2
Heavy Atoms 21
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