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Compound Detail

CHEMBL241562

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C[N+](C)(C)Cc1cc2ccccc2c(-c2c(O)c(C[N+](C)(C)C)cc3ccccc23)c1O.[I-].[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241562
Phase Preclinical
Structure Type MOL
InChI Key LVIIOONPNIKFMT-UHFFFAOYSA-N
Parent Compound CHEMBL1182522
Active Moiety CHEMBL1182522
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
5.48
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.41
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 C28H34I2N2O2
MW 684.40
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
18047263 10.1021/jm070828x LoVo 4
18047263 10.1021/jm070828x Unchecked 4

Data from ChEMBL 36 via Core Engine