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Compound Detail

CHEMBL4466969

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CCOC(=O)C1=C(CN2CCOC[C@H]2C(=O)O)NC(c2nccs2)=N[C@H]1c1ccc(F)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4466969
Phase Preclinical
Structure Type MOL
InChI Key LQKVRXCRUFBBKM-WMZOPIPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

553.4
MW (Da)
2.74
ALogP
9
HBA
2
HBD
113.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22BrFN4O5S
MW 553.41
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
31689116 10.1021/acs.jmedchem.9b01421 Unchecked 2
31689116 10.1021/acs.jmedchem.9b01421 Core antigen 1

Data from ChEMBL 36 via Core Engine