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Compound Detail

CHEMBL4170454

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Clc1ccc(Cl)c2c1[I+]c1ccccc1-2.O=S(=O)([O-])C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170454
Phase Preclinical
Structure Type MOL
InChI Key WPANTIXJXWVCFV-UHFFFAOYSA-M
Parent Compound CHEMBL4299782
Active Moiety CHEMBL4299782
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

348.0
MW (Da)
1.10
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H6Cl2F3IO3S
MW 497.06
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
29269132 10.1016/j.ejmech.2017.10.010 Unchecked 4
29269132 10.1016/j.ejmech.2017.10.010 HepG2 2
29269132 10.1016/j.ejmech.2017.10.010 Mycobacterium tuberculosis 1
29269132 10.1016/j.ejmech.2017.10.010 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine