Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4099690

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN1CCN(CCNC(=O)COc2ccc3oc4c(NCCN5CCN(C)CC5)c5ccccc5[n+](C)c4c3c2)CC1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099690
Phase Preclinical
Structure Type MOL
InChI Key VDRHYNQWAZWDGR-UHFFFAOYSA-N
Parent Compound CHEMBL4116086
Active Moiety CHEMBL4116086
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

574.8
MW (Da)
1.97
ALogP
8
HBA
2
HBD
80.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H44IN7O3
MW 701.65
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.72

Literature References

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

Data from ChEMBL 36 via Core Engine