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Compound Detail

CHEMBL4647513

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CCn1c(=O)/c(=C/C=C2\Sc3cc(C(F)(F)F)ccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4647513
Phase Preclinical
Structure Type MOL
InChI Key QCURQJFIHBTVCB-AKAHUDGPSA-M
Parent Compound CHEMBL4650632
Active Moiety CHEMBL4650632
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

550.6
MW (Da)
4.82
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20ClF4N3OS3
MW 586.10
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
31761725 10.1016/j.bmc.2019.115187 Leishmania orientalis 5
31761725 10.1016/j.bmc.2019.115187 Leishmania martiniquensis 3
31761725 10.1016/j.bmc.2019.115187 J774.A1 2

Data from ChEMBL 36 via Core Engine