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Compound Detail

CHEMBL478260

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COc1ccc(/C=C/C(=O)c2ccccc2)cc1S(=O)(=O)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478260
Phase Preclinical
Structure Type MOL
InChI Key UBWOLSOIGQRDDV-PKNBQFBNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
3.38
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO4S
MW 371.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania braziliensis
CHEMBL612878
 IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania braziliensis IC50 = 13000.0 nM 4.89 Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2904 promas... 18554753

Literature References

PubMed DOI Target Context # Activities
18554753 10.1016/j.ejmech.2008.04.016 Leishmania braziliensis 2
18554753 10.1016/j.ejmech.2008.04.016 Trypanosoma cruzi 1
18554753 10.1016/j.ejmech.2008.04.016 ADMET 1

Data from ChEMBL 36 via Core Engine