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Compound Detail

CHEMBL609438

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CC[n+]1ccccc1/C=C1\Sc2ccc(C)cc2N1C.[I-]

Basic Information

ChEMBL ID CHEMBL609438
Phase Preclinical
Structure Type MOL
InChI Key UNSCTEHABQTZJS-UHFFFAOYSA-M
Parent Compound CHEMBL1198648
Active Moiety CHEMBL1198648
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
3.84
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19IN2S
MW 410.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.20

Activity Summary

EC50 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 22.0 nM 7.66 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -

Literature References

PubMed DOI Target Context # Activities
20485428 10.1038/nature09099 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine