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Compound Detail

CHEMBL4074591

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CN(C)CCCNc1c2ccccc2[n+](C)c2c1oc1ccc(OCC3CC[N+](C)(C)CC3)cc12.[I-].[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4074591
Phase Preclinical
Structure Type MOL
InChI Key WFFAXGGUWUQZDH-UHFFFAOYSA-M
Parent Compound CHEMBL4117522
Active Moiety CHEMBL4117522
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.7
MW (Da)
4.79
ALogP
4
HBA
1
HBD
41.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40I2N4O2
MW 730.47
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
28603988 10.1021/acs.jmedchem.7b00099 Unchecked 5
28530833 10.1021/acs.jmedchem.6b01444 Unchecked 3

Data from ChEMBL 36 via Core Engine