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Compound Detail

CHEMBL565089

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CC[N+](C)(CC)Cc1cc(/N=c2\ccn(C)c(C)c2)ccc1O.I.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL565089
Phase Preclinical
Structure Type MOL
InChI Key UGLYTGWFOGAODE-VIPPSAFOSA-N
Parent Compound CHEMBL1197279
Active Moiety CHEMBL1197279
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.26
ALogP
3
HBA
1
HBD
37.5
PSA (Ų)
0.85
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 C19H29I2N3O
MW 569.27
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.07

Activity Summary

IC50 1 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.01 5.01 9860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 9860.0 nM 5.01 Antimalarial activity after 48 hrs against atovaquone-resistant Plasmodium falci... 19467600

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