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Compound Detail

CHEMBL1766280

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Nc1nc(N2CCCC2)c2ncn(C[C@@H](CF)OCP(=O)(O)O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1766280
Phase Preclinical
Structure Type MOL
InChI Key FOVANXUAPNKSDQ-SECBINFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

374.3
MW (Da)
0.50
ALogP
8
HBA
3
HBD
139.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20FN6O4P
MW 374.31
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
21429755 10.1016/j.bmc.2011.02.050 CCRF-CEM 2
21429755 10.1016/j.bmc.2011.02.050 Human immunodeficiency virus 1 1
21429755 10.1016/j.bmc.2011.02.050 Human immunodeficiency virus 2 1
21429755 10.1016/j.bmc.2011.02.050 Moloney murine sarcoma virus 1
21429755 10.1016/j.bmc.2011.02.050 Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine