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Compound Detail

CHEMBL4461544

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C[C@H]1O[C@@H](n2cc(I)c3c(N)ccnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4461544
Phase Preclinical
Structure Type MOL
InChI Key AZJKUZNIVZGWIB-RPULLILYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.2
MW (Da)
0.86
ALogP
6
HBA
3
HBD
93.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14IN3O3
MW 375.17
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.81

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