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Compound Detail

CHEMBL4454779

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Cc1cnc(NC(=O)CCCCOc2ccc(Cl)c(C)c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4454779
Phase Preclinical
Structure Type MOL
InChI Key NFVRVURYTBCXKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.9
MW (Da)
4.60
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.75
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 C16H19ClN2O2S
MW 338.86
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
30973727 10.1021/acs.jmedchem.9b00462 Protein Tat 1
30973727 10.1021/acs.jmedchem.9b00462 HEK293 1

Data from ChEMBL 36 via Core Engine