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Compound Detail

CHEMBL85309

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NC1C(=O)C=CN([C@H]2CC[C@@H](CO)O2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85309
Phase Preclinical
Structure Type MOL
InChI Key YXRRTMXELBJWHI-DZESUTGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
-1.26
ALogP
5
HBA
2
HBD
92.9
PSA (Ų)
0.57
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 C10H14N2O4
MW 226.23
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.22

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80709-5 CEM-SS 4
- 10.1016/S0960-894X(01)80709-5 CEM-TK(-) 4

Data from ChEMBL 36 via Core Engine