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Compound Detail

CHEMBL4577555

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CC[n+]1cccc2cc(/C=N/NC(=O)c3cc(C(=O)N/N=C/c4ccc5c(ccc[n+]5CC)c4)ncn3)ccc21.[I-].[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577555
Phase Preclinical
Structure Type MOL
InChI Key WROTVVXHJXGHLB-RCNVFKKTSA-N
Parent Compound CHEMBL4594987
Active Moiety CHEMBL4594987
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

532.6
MW (Da)
2.93
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28I2N8O2
MW 786.42
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
31173968 10.1016/j.ejmech.2019.05.042 NCI-H1299 4
31173968 10.1016/j.ejmech.2019.05.042 Unchecked 3

Data from ChEMBL 36 via Core Engine