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Compound Detail

CHEMBL369255

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O=C(CN1CCCCC1)Nc1scnc1C(=O)Nc1nccs1

Basic Information

ChEMBL ID CHEMBL369255
Phase Preclinical
Structure Type MOL
InChI Key YSDROGRUJBHEBM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
2.28
ALogP
7
HBA
2
HBD
87.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N5O2S2
MW 351.46
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.41

Activity Summary

IC50 2 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 6.85 6.85 140.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 5.84 5.84 1450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15993057 10.1016/j.bmcl.2005.05.055 Methionine aminopeptidase 1
15993057 10.1016/j.bmcl.2005.05.055 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine