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Compound Detail

CHEMBL4793992

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Nc1nc2nc(C(=O)N[C@H](CO)C(=O)O)cnc2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4793992
Phase Preclinical
Structure Type MOL
InChI Key IJUHROYSMKHJHZ-SCSAIBSYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.2
MW (Da)
-2.53
ALogP
8
HBA
5
HBD
184.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10N6O5
MW 294.23
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.21

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27666634 10.1016/j.bmcl.2016.09.033 Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine