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Compound Detail

CHEMBL4459737

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

Basic Information

ChEMBL ID CHEMBL4459737
Phase Preclinical
Structure Type MOL
InChI Key MXAPIOFQLPGHQF-HKUYNNGSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

499.5
MW (Da)
1.85
ALogP
10
HBA
2
HBD
137.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22FN5O5S
MW 499.52
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.38

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