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Compound Detail

CHEMBL4441481

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Oc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4441481
Phase Preclinical
Structure Type MOL
InChI Key HRBWFMQKRKDQBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.66
ALogP
5
HBA
2
HBD
67.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O2
MW 343.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
31378571 10.1016/j.bmcl.2019.07.012 Mycobacterium tuberculosis 6
31378571 10.1016/j.bmcl.2019.07.012 Unchecked 1

Data from ChEMBL 36 via Core Engine