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Compound Detail

CHEMBL161699

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O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(O)C(I)I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL161699
Phase Preclinical
Structure Type MOL
InChI Key WPEFOXWIOSPBJW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

524.0
MW (Da)
-0.59
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14I2N2O6
MW 524.05
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.85

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
2299637 10.1021/jm00164a039 Vero 1
2299637 10.1021/jm00164a039 L1210 1
2299637 10.1021/jm00164a039 Mus musculus 1
2299637 10.1021/jm00164a039 P388 1
2299637 10.1021/jm00164a039 Unchecked 1

Data from ChEMBL 36 via Core Engine