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Compound Detail

CHEMBL565457

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CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(OC(=O)c3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL565457
Phase Preclinical
Structure Type MOL
InChI Key XYWABJZRXOUBMT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
6.11
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25NO2
MW 383.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei rhodesiense
CHEMBL612348
 IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei rhodesiense IC50 = 13.0 nM 7.89 Antitrypanosomal activity against bloodstream Trypanosoma brucei rhodesiense STI... 20047276

Literature References

PubMed DOI Target Context # Activities
20047276 10.1021/jm900723w Trypanosoma brucei rhodesiense 1
20047276 10.1021/jm900723w Unchecked 1
20047276 10.1021/jm900723w L6 1

Data from ChEMBL 36 via Core Engine