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Compound Detail

CHEMBL604039

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CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](N=[N+]=[N-])[C@@H](CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604039
Phase Preclinical
Structure Type MOL
InChI Key CDWJKYHKEGZHOZ-RRKCRQDMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

324.7
MW (Da)
1.48
ALogP
8
HBA
2
HBD
133.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13ClN8O2
MW 324.73
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
19948402 10.1016/j.bmcl.2009.11.031 Human immunodeficiency virus 1 2
19948402 10.1016/j.bmcl.2009.11.031 PBMC 1
19948402 10.1016/j.bmcl.2009.11.031 CCRF-CEM 1
19948402 10.1016/j.bmcl.2009.11.031 Vero 1

Data from ChEMBL 36 via Core Engine