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Compound Detail

CHEMBL1164981

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O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(I)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164981
Phase Preclinical
Structure Type MOL
InChI Key ZUXSMRDITBQNMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.2
MW (Da)
4.66
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13IN2O
MW 424.24
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
20494587 10.1016/j.bmc.2010.04.083 Thermolysin 1

Data from ChEMBL 36 via Core Engine