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Compound Detail

CHEMBL4799662

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O=C1CSC(c2ccc3cccc(O)c3n2)N1c1ccc(I)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799662
Phase Preclinical
Structure Type MOL
InChI Key OLRLUVLBFGVZHU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.3
MW (Da)
4.32
ALogP
4
HBA
1
HBD
53.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13IN2O2S
MW 448.29
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.00

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31759728 10.1016/j.ejmech.2019.111860 Unchecked 1

Data from ChEMBL 36 via Core Engine