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Compound Detail

CHEMBL3818606

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NCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3818606
Phase Preclinical
Structure Type MOL
InChI Key WQJWGCAJXKXQQL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

451.2
MW (Da)
3.07
ALogP
4
HBA
3
HBD
76.4
PSA (Ų)
0.36
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 C15H13F3IN3O2
MW 451.19
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.58

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26943489 10.1021/acs.jmedchem.5b01655 Unchecked 1
26943489 10.1021/acs.jmedchem.5b01655 Dual specificity mitogen-activated protein kinase kinase 1 1

Data from ChEMBL 36 via Core Engine