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Compound Detail

CHEMBL2021514

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Nc1ncnc2c1ncn2C[C@H](F)OCP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021514
Phase Preclinical
Structure Type MOL
InChI Key BRBMEZUIFJSKOB-RXMQYKEDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

291.2
MW (Da)
-0.14
ALogP
7
HBA
3
HBD
136.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11FN5O4P
MW 291.18
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.52

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17893157 10.1128/aac.00838-07 ADMET 4
17893157 10.1128/aac.00838-07 Unchecked 4
17893157 10.1128/aac.00838-07 Camelpox virus 4
21429755 10.1016/j.bmc.2011.02.050 Human immunodeficiency virus 1 1
21429755 10.1016/j.bmc.2011.02.050 MT4 1

Data from ChEMBL 36 via Core Engine