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Compound Detail

CHEMBL571472

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CC1=CC(C)(C)N(Cc2ccccc2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL571472
Phase Preclinical
Structure Type MOL
InChI Key NRTFNXZCLXJPHL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

263.4
MW (Da)
4.89
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N
MW 263.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.33

Activity Summary

IC50 2 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei rhodesiense
CHEMBL612348
IC50 4.24 4.24 57000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20047276 10.1021/jm900723w Trypanosoma brucei rhodesiense 4
20047276 10.1021/jm900723w Unchecked 1
20047276 10.1021/jm900723w L6 1

Data from ChEMBL 36 via Core Engine