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

CHEMBL3603971

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
C[C@H]1[C@@H](OCC[N+]2(CCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3603971
Phase Preclinical
Structure Type MOL
InChI Key USKYEJAETJEIJH-QZLWKUISSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

912.6
MW (Da)
7.88
ALogP
13
HBA
1
HBD
120.5
PSA (Ų)
0.16
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H72ClN4O10+
MW 912.59
Aromatic Rings 2
Heavy Atoms 64
NP-Likeness 0.78

Literature References

PubMed DOI Target Context # Activities
25593097 10.1016/j.bmc.2014.12.018 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine