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Compound Detail

CHEMBL360513

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O=C(Nc1nccs1)c1ncccc1OCc1ccccc1

Basic Information

ChEMBL ID CHEMBL360513
Phase Preclinical
Structure Type MOL
InChI Key ZZDZUXFMVLMMFY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.37
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.78
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 C16H13N3O2S
MW 311.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.68

Activity Summary

IC50 2 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 1
CHEMBL2526
IC50 6.11 6.11 770.0 1
Methionine aminopeptidase
CHEMBL3423
IC50 5.85 5.85 1410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine