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Compound Detail

CHEMBL5194808

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OC[C@H]1O[C@@H](n2ccc3c(N4CCOCC4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194808
Phase Preclinical
Structure Type MOL
InChI Key CIUNFGKKZJUFCN-RTWAVKEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
-1.12
ALogP
9
HBA
3
HBD
113.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O5
MW 336.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
35144125 10.1016/j.ejmech.2022.114165 MRC5 1
35144125 10.1016/j.ejmech.2022.114165 Trypanosoma cruzi 1
35144125 10.1016/j.ejmech.2022.114165 Leishmania infantum 1
35144125 10.1016/j.ejmech.2022.114165 Macrophage 1

Data from ChEMBL 36 via Core Engine