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Compound Detail

CHEMBL408946

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O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1N1C2CCC1CC(c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408946
Phase Preclinical
Structure Type MOL
InChI Key RZXQAOZBWNZIHX-ZKDKVXTQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

502.4
MW (Da)
4.64
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.62
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 C25H31IN2O
MW 502.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.49

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