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Compound Detail

CHEMBL4226967

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O=C(NC[C@H](O)CO)c1cc2c(c(F)c1Nc1ccc(I)cc1F)OCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226967
Phase Preclinical
Structure Type MOL
InChI Key FAYYVVGMMQLIHA-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.2
MW (Da)
2.33
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.47
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 C18H17F2IN2O4
MW 490.24
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
29317148 10.1016/j.bmc.2017.12.019 Dual specificity mitogen-activated protein kinase kinase 1 1
29317148 10.1016/j.bmc.2017.12.019 COLO 205 1

Data from ChEMBL 36 via Core Engine