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Compound Detail

CHEMBL3318310

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CC(C)c1ccc(NC(=O)O[C@H](Cn2ccnc2)c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318310
Phase Preclinical
Structure Type MOL
InChI Key OMXCIRVMHPGVCD-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
5.14
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22FN3O2
MW 367.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.27

Activity Summary

EC50 1 meas. best 8.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 EC50 8.26 8.26 5.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi EC50 = 5.5 nM 8.26 Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes exp... 25033013

Literature References

PubMed DOI Target Context # Activities
25033013 10.1021/jm500739f Sterol 14-alpha demethylase 2
25033013 10.1021/jm500739f Trypanosoma cruzi 2
27240272 10.1016/j.ejmech.2016.05.032 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine