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Compound Detail

CHEMBL4445207

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C[n+]1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3cc[n+](C)cc3)ncn2)cc1.[I-].[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4445207
Phase Preclinical
Structure Type MOL
InChI Key ZAPAPYSFANPYGO-UHFFFAOYSA-N
Parent Compound CHEMBL4596291
Active Moiety CHEMBL4596291
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
-0.35
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20I2N8O2
MW 658.24
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
31173968 10.1016/j.ejmech.2019.05.042 Unchecked 3
31173968 10.1016/j.ejmech.2019.05.042 NCI-H1299 2

Data from ChEMBL 36 via Core Engine