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Compound Detail

CHEMBL373635

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CN(C)C12C/C(=N\O)C(C(c3ccccc3)C1)C(c1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL373635
Phase Preclinical
Structure Type MOL
InChI Key DNCKKEOERMCILA-BSYVCWPDSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
4.50
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O
MW 334.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.04

Activity Summary

IC50 3 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.9 5.9 1260.0 1
Trypanosoma brucei rhodesiense
CHEMBL612348
IC50 5.12 5.12 7670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16889962 10.1016/j.bmcl.2006.07.057 Unchecked 2
16889962 10.1016/j.bmcl.2006.07.057 Trypanosoma brucei rhodesiense 1
16889962 10.1016/j.bmcl.2006.07.057 Plasmodium falciparum 1
16889962 10.1016/j.bmcl.2006.07.057 L6 1

Data from ChEMBL 36 via Core Engine