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Compound Detail

CHEMBL2113335

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Cc1cc(N)c2ccccc2[n+]1C.[I-]

Basic Information

ChEMBL ID CHEMBL2113335
Phase Preclinical
Structure Type MOL
InChI Key NIIAVLFMTBTSNH-UHFFFAOYSA-N
Parent Compound CHEMBL2219575
Active Moiety CHEMBL2219575
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
1.55
ALogP
1
HBA
1
HBD
29.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13IN2
MW 300.14
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness 0.06

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23837878 10.1021/jm400656s Plasmodium falciparum 2
10753478 10.1021/jm990340z Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine