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Compound Detail

CHEMBL4633189

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[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(NCCCO)nc2=O)[C@@H](F)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4633189
Phase Preclinical
Structure Type MOL
InChI Key ZTZLNNCJGOFNFQ-UXCLJVHYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.3
MW (Da)
-0.74
ALogP
9
HBA
4
HBD
165.6
PSA (Ų)
0.22
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17FN6O5
MW 344.30
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
32678592 10.1021/acs.jmedchem.0c00940 Human immunodeficiency virus 1 1
32678592 10.1021/acs.jmedchem.0c00940 HEK293 1

Data from ChEMBL 36 via Core Engine