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Compound Detail

CHEMBL1911739

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COc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1911739
Phase Preclinical
Structure Type MOL
InChI Key VKODXQPVZDKDDZ-GSWPYSDESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

330.7
MW (Da)
-0.51
ALogP
9
HBA
3
HBD
122.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15ClN4O5
MW 330.73
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
21983447 10.1016/j.bmcl.2011.09.034 Human immunodeficiency virus 1 2
26819659 10.1021/acsmedchemlett.5b00402 Hepatitis C virus 2
21983447 10.1016/j.bmcl.2011.09.034 Hepatitis C virus 1
21983447 10.1016/j.bmcl.2011.09.034 Huh-7 1
21983447 10.1016/j.bmcl.2011.09.034 PBMC 1
21983447 10.1016/j.bmcl.2011.09.034 CCRF-CEM 1
21983447 10.1016/j.bmcl.2011.09.034 Vero 1
26819659 10.1021/acsmedchemlett.5b00402 PBMC 1
26819659 10.1021/acsmedchemlett.5b00402 CCRF-CEM 1
26819659 10.1021/acsmedchemlett.5b00402 Vero 1
26819659 10.1021/acsmedchemlett.5b00402 ADMET 1

Data from ChEMBL 36 via Core Engine