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Compound Detail

CHEMBL4094258

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CN(C)CCNC(=O)COc1ccc2oc3c(NCCN(C)C)c4ccccc4[n+](C)c3c2c1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4094258
Phase Preclinical
Structure Type MOL
InChI Key MIPGYNVDXFMRAM-UHFFFAOYSA-N
Parent Compound CHEMBL4116829
Active Moiety CHEMBL4116829
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
2.59
ALogP
6
HBA
2
HBD
73.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34IN5O3
MW 591.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
28603988 10.1021/acs.jmedchem.7b00099 Unchecked 5
28530833 10.1021/acs.jmedchem.6b01444 Unchecked 1

Data from ChEMBL 36 via Core Engine