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Compound Detail

CHEMBL84385

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CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL84385
Phase Preclinical
Structure Type MOL
InChI Key CTUIJSMDTYBOLW-JTQLQIEISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

533.1
MW (Da)
3.12
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.52
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 C14H17I2NO5
MW 533.10
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.07

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15115392 10.1021/jm0305117 NS3 2

Data from ChEMBL 36 via Core Engine