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Compound Detail

CHEMBL8163

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O=C1NC(=O)c2cc(Nc3ccc(I)cc3)c(Nc3ccc(I)cc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8163
Phase Preclinical
Structure Type MOL
InChI Key PZKMVVUAVPOFPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

581.1
MW (Da)
5.27
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13I2N3O2
MW 581.15
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
8151612 10.1021/jm00033a019 Epidermal growth factor receptor 1
8151612 10.1021/jm00033a019 Protein kinase C (PKC) 1
8151612 10.1021/jm00033a019 cAMP-dependent protein kinase alpha-catalytic subunit 1

Data from ChEMBL 36 via Core Engine