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Compound Detail

CHEMBL3410731

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O=C(CO)N/N=C/c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410731
Phase Preclinical
Structure Type MOL
InChI Key YRGNNRUZRCBPLM-ONNFQVAWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
-0.46
ALogP
5
HBA
4
HBD
102.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N2O4
MW 210.19
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
25581017 10.1021/jm5018187 Krueppel-like factor 10 2

Data from ChEMBL 36 via Core Engine