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Compound Detail

CHEMBL1534203

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CCCC[n+]1c2ccccc2cc2ccccc21.[I-]

Basic Information

ChEMBL ID CHEMBL1534203
Phase Preclinical
Structure Type MOL
InChI Key XPIJSKXSRUGYBM-UHFFFAOYSA-M
Parent Compound CHEMBL1623522
Active Moiety CHEMBL1623522
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
4.08
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18IN
MW 363.24
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.04

Activity Summary

EC50 2 meas. best 7.39
IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.39 6.805 41.0 2
Unchecked
CHEMBL612545
IC50 4.52 4.52 30255.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine