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Compound Detail

CHEMBL3040408

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COc1cc(/C(N)=N/O)cc(I)c1OCc1cccc(/C(N)=N/O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040408
Phase Preclinical
Structure Type MOL
InChI Key CXFDIZYDCQROHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.2
MW (Da)
2.07
ALogP
6
HBA
4
HBD
135.7
PSA (Ų)
0.17
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17IN4O4
MW 456.24
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine