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Compound Detail

CHEMBL2115489

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Nc1nc(=O)n([C@H]2CO[C@@H](CO)O2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2115489
Phase Preclinical
Structure Type MOL
InChI Key FHQBEXAIBWHLBV-PHDIDXHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

247.6
MW (Da)
-0.66
ALogP
7
HBA
2
HBD
99.6
PSA (Ų)
0.72
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 C8H10ClN3O4
MW 247.64
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.37

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00343-R CCRF-CEM 2
- 10.1016/0960-894X(95)00343-R Hepatoma cell line 1

Data from ChEMBL 36 via Core Engine