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Compound Detail

CHEMBL1795069

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O[C@@H]1CCN(c2cccc(I)c2)C[C@H]1N1CCC(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1795069
Phase Preclinical
Structure Type MOL
InChI Key XICAKLOQVWILJT-FGZHOGPDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
4.11
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.70
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 C22H27IN2O
MW 462.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.64

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