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Compound Detail

CHEMBL300554

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Cc1cn([C@H]2CO[C@@H](CO)O2)c(=O)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300554
Phase Preclinical
Structure Type MOL
InChI Key MJGOECXTQVPSJN-RNFRBKRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

227.2
MW (Da)
-1.00
ALogP
7
HBA
2
HBD
99.6
PSA (Ų)
0.67
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 C9H13N3O4
MW 227.22
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
1597854 10.1021/jm00089a007 ADMET 2
1597854 10.1021/jm00089a007 Vero 1
- 10.1016/0960-894X(95)00343-R Hepatoma cell line 1
- 10.1016/0960-894X(95)00343-R Unchecked 1

Data from ChEMBL 36 via Core Engine