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Compound Detail

CHEMBL261716

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O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(c2cccc(I)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261716
Phase Preclinical
Structure Type MOL
InChI Key PEISELQYVALLCE-NHCUHLMSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.3
MW (Da)
4.00
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.72
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 C21H24INO
MW 433.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.10

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18324757 10.1021/jm700961r Unchecked 1

Data from ChEMBL 36 via Core Engine