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Compound Detail

CHEMBL482826

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C[n+]1c2ccccc2c(NCCCN2CCOCC2)c2[nH]c3ccccc3c21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482826
Phase Preclinical
Structure Type MOL
InChI Key GPWWFBXMGLTZIE-UHFFFAOYSA-N
Parent Compound CHEMBL1186926
Active Moiety CHEMBL1186926
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.43
ALogP
3
HBA
2
HBD
44.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27IN4O
MW 502.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
18821749 10.1021/jm800497p Unchecked 3

Data from ChEMBL 36 via Core Engine