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Compound Detail

CHEMBL4434812

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Oc1cc2ncnc(Nc3ccc(OCc4ccc(F)cc4)cc3)c2cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4434812
Phase Preclinical
Structure Type MOL
InChI Key UISZUGFCRKXVBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
4.50
ALogP
6
HBA
3
HBD
87.5
PSA (Ų)
0.44
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 C21H16FN3O3
MW 377.38
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.87

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