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Compound Detail

CHEMBL4454616

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Nc1ccnc2c1c(C1=CCCCC1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4454616
Phase Preclinical
Structure Type MOL
InChI Key NAVPPBJZSGSPMW-GFOCRRMGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
1.19
ALogP
7
HBA
4
HBD
113.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N3O4
MW 345.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.93

Literature References

PubMed DOI Target Context # Activities
31495177 10.1021/acs.jmedchem.9b01275 Trypanosoma cruzi 1
31495177 10.1021/acs.jmedchem.9b01275 Unchecked 1

Data from ChEMBL 36 via Core Engine