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Compound Detail

CHEMBL482422

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C[n+]1c2ccccc2c(NCCCN2CCOCC2)c2oc3ccccc3c21.[I-]

Basic Information

ChEMBL ID CHEMBL482422
Phase Preclinical
Structure Type MOL
InChI Key FSKYVBFODFISDY-UHFFFAOYSA-N
Parent Compound CHEMBL1186918
Active Moiety CHEMBL1186918
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.70
ALogP
4
HBA
1
HBD
41.5
PSA (Ų)
0.43
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 C23H26IN3O2
MW 503.38
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 18000.0 nM 4.75 Inhibition of amplification of synthetic HTG21 telomere assessed as G-quadruplex... 18821749

Literature References

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

Data from ChEMBL 36 via Core Engine