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Compound Detail

CHEMBL551494

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CC[N+](C)(CC)Cc1cc(/N=c2\ccn(C)cc2S(=O)(=O)N(C)C)ccc1OC.I.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL551494
Phase Preclinical
Structure Type MOL
InChI Key HWLVFVXLIYPSHB-UKOJIYRKSA-M
Parent Compound CHEMBL1194327
Active Moiety CHEMBL1194327
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
2.50
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34I2N4O3S
MW 676.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
19467600 10.1016/j.bmcl.2009.05.017 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine