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Compound Detail

CHEMBL4634611

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CCn1c(=O)/c(=C/C=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1sc2cc(F)ccc2[n+]1C.[Cl-]

Basic Information

ChEMBL ID CHEMBL4634611
Phase Preclinical
Structure Type MOL
InChI Key VCDCWTFGLZAHQH-YZTCTUAYSA-M
Parent Compound CHEMBL4650710
Active Moiety CHEMBL4650710
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
3.94
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.40
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 C24H20ClF2N3OS3
MW 536.09
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.13

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