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

CHEMBL4071443

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
O=C1/C(=C/c2ccccc2Br)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4071443
Phase Preclinical
Structure Type MOL
InChI Key LGAMUTKBDYSBIN-PMDSDZCYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.4
MW (Da)
3.98
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26BrNO4
MW 508.41
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.88

Literature References

PubMed DOI Target Context # Activities
28662966 10.1016/j.bmc.2017.06.026 Trichomonas vaginalis 1

Data from ChEMBL 36 via Core Engine