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Compound Detail

CHEMBL3040902

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N/C(=N\O)c1cccc(COc2c(I)cc(/C(N)=N/O)cc2I)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040902
Phase Preclinical
Structure Type MOL
InChI Key DOMXKRCGVLLVGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

552.1
MW (Da)
2.66
ALogP
5
HBA
4
HBD
126.5
PSA (Ų)
0.15
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14I2N4O3
MW 552.11
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine