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Compound Detail

CHEMBL362123

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COc1ccccc1C(Cc1scnc1C(=O)Nc1nccs1)OC

Basic Information

ChEMBL ID CHEMBL362123
Phase Preclinical
Structure Type MOL
InChI Key AILNQGROYLAXCK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.79
ALogP
7
HBA
1
HBD
73.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O3S2
MW 375.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.44

Activity Summary

IC50 2 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 7.46 7.46 35.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 6.24 6.24 570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16005224 10.1016/j.bmcl.2005.06.005 Methionine aminopeptidase 1
16005224 10.1016/j.bmcl.2005.06.005 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine