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Compound Detail

CHEMBL166984

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Nc1nnc(O)c2c1ccn2COC(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166984
Phase Preclinical
Structure Type MOL
InChI Key CTIJEMYYTVXRPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
-0.95
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N4O4
MW 254.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
9057866 10.1021/jm960631x HFF 2
9057866 10.1021/jm960631x KB 2
9057866 10.1021/jm960631x L1210 1

Data from ChEMBL 36 via Core Engine