Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4645018

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(NCCO)nc2=O)[C@@H](F)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4645018
Phase Preclinical
Structure Type MOL
InChI Key WCSAJRUNYPETOR-WYOJIJJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
-1.13
ALogP
9
HBA
4
HBD
165.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15FN6O5
MW 330.28
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.24

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