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Compound Detail

CHEMBL23971

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O=C(O)c1ccccc1Nc1cccc(I)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23971
Phase Preclinical
Structure Type MOL
InChI Key YDHVAPBSJDSJRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.1
MW (Da)
3.73
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10INO2
MW 339.13
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
8487264 10.1021/jm00061a019 No relevant target 1
8487264 10.1021/jm00061a019 H4 1
18952427 10.1016/j.bmcl.2008.10.054 Unchecked 1

Data from ChEMBL 36 via Core Engine