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Compound Detail

CHEMBL1766199

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C=CCNc1nc(N)nc2c1ncn2C[C@@H](CF)OCP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1766199
Phase Preclinical
Structure Type MOL
InChI Key CNCWSZLZMUZNIC-MRVPVSSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

360.3
MW (Da)
0.50
ALogP
8
HBA
4
HBD
148.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18FN6O4P
MW 360.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.57

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