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Compound Detail

CHEMBL4741969

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Nc1nc2nc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O)cnc2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4741969
Phase Preclinical
Structure Type MOL
InChI Key BYYDVPCOJAQWPZ-SECBINFHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.3
MW (Da)
-0.57
ALogP
8
HBA
5
HBD
184.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N6O5
MW 370.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.15

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