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Compound Detail

CHEMBL4218589

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CCOC(=O)C1=C(CN2CCNCC2)NC(c2nccs2)=NC1c1ccc(F)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4218589
Phase Preclinical
Structure Type MOL
InChI Key BRYYFTFRGRHEEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.0
MW (Da)
2.75
ALogP
8
HBA
2
HBD
78.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClFN5O2S
MW 463.97
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
28082068 10.1016/j.bmc.2016.12.017 Core antigen 1

Data from ChEMBL 36 via Core Engine