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Compound Detail

CHEMBL602947

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CN(C)c1nc(Cl)nc2c1ncn2[C@H]1C[C@H](N=[N+]=[N-])[C@@H](CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL602947
Phase Preclinical
Structure Type MOL
InChI Key NIBXNBJGEGHAFW-XLPZGREQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.8
MW (Da)
1.50
ALogP
8
HBA
1
HBD
125.1
PSA (Ų)
0.39
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 C12H15ClN8O2
MW 338.76
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.27

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