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Compound Detail

CHEMBL2113334

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CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2113334
Phase Preclinical
Structure Type MOL
InChI Key UAIVMMIZGVQHRU-UHFFFAOYSA-N
Parent Compound CHEMBL156475
Active Moiety CHEMBL156475
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.5
MW (Da)
5.16
ALogP
1
HBA
1
HBD
29.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31IN2
MW 426.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10753478 10.1021/jm990340z Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine