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Compound Detail

CHEMBL2347072

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COc1ccc(-n2c(/C=C3\C(=O)Nc4ccccc43)nc3ccc(I)cc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2347072
Phase Preclinical
Structure Type MOL
InChI Key QUHOVKCMFMZBTM-AQTBWJFISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

521.3
MW (Da)
4.49
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16IN3O3
MW 521.31
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
23434140 10.1016/j.bmc.2013.01.047 Ribosomal protein S6 kinase alpha-3 2

Data from ChEMBL 36 via Core Engine